N-(2-chloro-5-methoxy-4-nitrophenyl)-6-methylidene-7,8-dihydro-5H-naphthalen-2-amine;4-chloro-1-N-methyl-3-N-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-6-nitrobenzene-1,3-diamine;N-[2-chloro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]-1-methyl-2-methylidene-3,4-dihydroquinolin-6-amine;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)-3,4-dihydroquinolin-2-one

C82H90Cl4N14O10 — CID 167647648

About N-(2-chloro-5-methoxy-4-nitrophenyl)-6-methylidene-7,8-dihydro-5H-naphthalen-2-amine;4-chloro-1-N-methyl-3-N-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-6-nitrobenzene-1,3-diamine;N-[2-chloro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]-1-methyl-2-methylidene-3,4-dihydroquinolin-6-amine;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)-3,4-dihydroquinolin-2-one

N-(2-chloro-5-methoxy-4-nitrophenyl)-6-methylidene-7,8-dihydro-5H-naphthalen-2-amine;4-chloro-1-N-methyl-3-N-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-6-nitrobenzene-1,3-diamine;N-[2-chloro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]-1-methyl-2-methylidene-3,4-dihydroquinolin-6-amine;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)-3,4-dihydroquinolin-2-one (PubChem CID 167647648) has the molecular formula C82H90Cl4N14O10 and a molecular weight of 1573.52 g/mol. Its IUPAC name is N-(2-chloro-5-methoxy-4-nitrophenyl)-6-methylidene-7,8-dihydro-5H-naphthalen-2-amine;4-chloro-1-N-methyl-3-N-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-6-nitrobenzene-1,3-diamine;N-[2-chloro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]-1-methyl-2-methylidene-3,4-dihydroquinolin-6-amine;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: N-(2-chloro-5-methoxy-4-nitrophenyl)-6-methylidene-7,8-dihydro-5H-naphthalen-2-amine;4-chloro-1-N-methyl-3-N-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-6-nitrobenzene-1,3-diamine;N-[2-chloro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]-1-methyl-2-methylidene-3,4-dihydroquinolin-6-amine;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)-3,4-dihydroquinolin-2-one
• PubChem CID: 167647648
• Molecular Formula: C82H90Cl4N14O10
• Molecular Weight: 1573.52 g/mol
• Exact Mass: 1570.57
• IUPAC Name: N-(2-chloro-5-methoxy-4-nitrophenyl)-6-methylidene-7,8-dihydro-5H-naphthalen-2-amine;4-chloro-1-N-methyl-3-N-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-6-nitrobenzene-1,3-diamine;N-[2-chloro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]-1-methyl-2-methylidene-3,4-dihydroquinolin-6-amine;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)-3,4-dihydroquinolin-2-one
• SMILES: C=C1CCc2cc(Nc3cc(N4CCC(C)CC4)c([N+](=O)[O-])cc3Cl)ccc2N1C.C=C1CCc2cc(Nc3cc(NC)c([N+](=O)[O-])cc3Cl)ccc2C1.C=C1CCc2cc(Nc3cc(OC)c([N+](=O)[O-])cc3Cl)ccc2C1.CC(=O)COC1Cc2cc(Nc3nc(N4CCC(C)CC4)ncc3Cl)ccc2N(C)C1=O
• InChI: InChI=1S/C23H28ClN5O3.C23H27ClN4O2.C18H18ClN3O2.C18H17ClN2O3/c1-14-6-8-29(9-7-14)23-25-12-18(24)21(27-23)26-17-4-5-19-16(10-17)11-20(22(31)28(19)3)32-13-15(2)30;1-15-8-10-27(11-9-15)22-14-20(19(24)13-23(22)28(29)30)25-18-6-7-21-17(12-18)5-4-16(2)26(21)3;1-11-3-4-13-8-14(6-5-12(13)7-11)21-16-10-17(20-2)18(22(23)24)9-15(16)19;1-11-3-4-13-8-14(6-5-12(13)7-11)20-16-10-18(24-2)17(21(22)23)9-15(16)19/h4-5,10,12,14,20H,6-9,11,13H2,1-3H3,(H,25,26,27);6-7,12-15,25H,2,4-5,8-11H2,1,3H3;5-6,8-10,20-21H,1,3-4,7H2,2H3;5-6,8-10,20H,1,3-4,7H2,2H3
• InChIKey: QCOOAELSBIPBRV-UHFFFAOYSA-N
• XLogP: 19.85
• TPSA: 280.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1573.52
LogP ≤ 5	19.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxy-4-nitrophenyl)-6-methylidene-7,8-dihydro-5H-naphthalen-2-amine;4-chloro-1-N-methyl-3-N-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-6-nitrobenzene-1,3-diamine;N-[2-chloro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]-1-methyl-2-methylidene-3,4-dihydroquinolin-6-amine;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)-3,4-dihydroquinolin-2-one?

The IUPAC name of N-(2-chloro-5-methoxy-4-nitrophenyl)-6-methylidene-7,8-dihydro-5H-naphthalen-2-amine;4-chloro-1-N-methyl-3-N-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-6-nitrobenzene-1,3-diamine;N-[2-chloro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]-1-methyl-2-methylidene-3,4-dihydroquinolin-6-amine;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)-3,4-dihydroquinolin-2-one (CID 167647648) is N-(2-chloro-5-methoxy-4-nitrophenyl)-6-methylidene-7,8-dihydro-5H-naphthalen-2-amine;4-chloro-1-N-methyl-3-N-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-6-nitrobenzene-1,3-diamine;N-[2-chloro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]-1-methyl-2-methylidene-3,4-dihydroquinolin-6-amine;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)-3,4-dihydroquinolin-2-one.

What is the SMILES notation for N-(2-chloro-5-methoxy-4-nitrophenyl)-6-methylidene-7,8-dihydro-5H-naphthalen-2-amine;4-chloro-1-N-methyl-3-N-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-6-nitrobenzene-1,3-diamine;N-[2-chloro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]-1-methyl-2-methylidene-3,4-dihydroquinolin-6-amine;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)-3,4-dihydroquinolin-2-one?

The canonical SMILES for N-(2-chloro-5-methoxy-4-nitrophenyl)-6-methylidene-7,8-dihydro-5H-naphthalen-2-amine;4-chloro-1-N-methyl-3-N-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-6-nitrobenzene-1,3-diamine;N-[2-chloro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]-1-methyl-2-methylidene-3,4-dihydroquinolin-6-amine;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)-3,4-dihydroquinolin-2-one is C=C1CCc2cc(Nc3cc(N4CCC(C)CC4)c([N+](=O)[O-])cc3Cl)ccc2N1C.C=C1CCc2cc(Nc3cc(NC)c([N+](=O)[O-])cc3Cl)ccc2C1.C=C1CCc2cc(Nc3cc(OC)c([N+](=O)[O-])cc3Cl)ccc2C1.CC(=O)COC1Cc2cc(Nc3nc(N4CCC(C)CC4)ncc3Cl)ccc2N(C)C1=O.

What is the InChIKey of N-(2-chloro-5-methoxy-4-nitrophenyl)-6-methylidene-7,8-dihydro-5H-naphthalen-2-amine;4-chloro-1-N-methyl-3-N-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-6-nitrobenzene-1,3-diamine;N-[2-chloro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]-1-methyl-2-methylidene-3,4-dihydroquinolin-6-amine;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)-3,4-dihydroquinolin-2-one?

The InChIKey is QCOOAELSBIPBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O3.C23H27ClN4O2.C18H18ClN3O2.C18H17ClN2O3/c1-14-6-8-29(9-7-14)23-25-12-18(24)21(27-23)26-17-4-5-19-16(10-17)11-20(22(31)28(19)3)32-13-15(2)30;1-15-8-10-27(11-9-15)22-14-20(19(24)13-23(22)28(29)30)25-18-6-7-21-17(12-18)5-4-16(2)26(21)3;1-11-3-4-13-8-14(6-5-12(13)7-11)21-16-10-17(20-2)18(22(23)24)9-15(16)19;1-11-3-4-13-8-14(6-5-12(13)7-11)20-16-10-18(24-2)17(21(22)23)9-15(16)19/h4-5,10,12,14,20H,6-9,11,13H2,1-3H3,(H,25,26,27);6-7,12-15,25H,2,4-5,8-11H2,1,3H3;5-6,8-10,20-21H,1,3-4,7H2,2H3;5-6,8-10,20H,1,3-4,7H2,2H3.

What are the key properties of N-(2-chloro-5-methoxy-4-nitrophenyl)-6-methylidene-7,8-dihydro-5H-naphthalen-2-amine;4-chloro-1-N-methyl-3-N-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-6-nitrobenzene-1,3-diamine;N-[2-chloro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]-1-methyl-2-methylidene-3,4-dihydroquinolin-6-amine;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)-3,4-dihydroquinolin-2-one?

N-(2-chloro-5-methoxy-4-nitrophenyl)-6-methylidene-7,8-dihydro-5H-naphthalen-2-amine;4-chloro-1-N-methyl-3-N-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-6-nitrobenzene-1,3-diamine;N-[2-chloro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]-1-methyl-2-methylidene-3,4-dihydroquinolin-6-amine;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)-3,4-dihydroquinolin-2-one has a molecular weight of 1573.52 g/mol, XLogP of 19.85, 18 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-5-methoxy-4-nitrophenyl)-6-methylidene-7,8-dihydro-5H-naphthalen-2-amine;4-chloro-1-N-methyl-3-N-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-6-nitrobenzene-1,3-diamine;N-[2-chloro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]-1-methyl-2-methylidene-3,4-dihydroquinolin-6-amine;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 167647648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).