6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one

C18H15ClN6O2 — CID 118955601

IUPAC6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
SMILESCOc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1-n1cnnn1
InChIInChI=1S/C18H15ClN6O2/c1-27-17-8-14(3-5-16(17)25-10-21-23-24-25)20-9-12-6-11-7-13(19)2-4-15(11)22-18(12)26/h2-8,10,20H,9H2,1H3,(H,22,26)
InChIKeyNITCQMNPAJNNEX-UHFFFAOYSA-N
MW382.81 g/mol
LogP2.78
Rot. Bonds5

About 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one

6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one (PubChem CID 118955601) has the molecular formula C18H15ClN6O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
PubChem CID118955601
Molecular FormulaC18H15ClN6O2
Molecular Weight382.81 g/mol
Exact Mass382.09
IUPAC Name6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
SMILESCOc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1-n1cnnn1
InChIInChI=1S/C18H15ClN6O2/c1-27-17-8-14(3-5-16(17)25-10-21-23-24-25)20-9-12-6-11-7-13(19)2-4-15(11)22-18(12)26/h2-8,10,20H,9H2,1H3,(H,22,26)
InChIKeyNITCQMNPAJNNEX-UHFFFAOYSA-N
XLogP2.78
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 46952127
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 46958630
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-1H-quinolin-2-one
CID 46958631
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-7-methyl-1H-quinolin-2-one
CID 118955638
6-Chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one
CID 155548685
6-chloro-3-({[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-
CID 145866767
2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
CID 1439927
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 59708555
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-methoxy-4-(tetrazol-1-yl)anilino]acetamide
CID 59708687
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(tetrazol-1-yl)phenoxy]acetamide
CID 90113598
6-chloro-7-fluoro-3-[(1S)-1-[3-methoxy-4-(tetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one
CID 118955616
6-chloro-7-fluoro-3-[1-[3-methoxy-4-(tetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one
CID 135378252

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one (CID 118955601) is 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one is COc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1-n1cnnn1.
What is the InChIKey of 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one?
The InChIKey is NITCQMNPAJNNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O2/c1-27-17-8-14(3-5-16(17)25-10-21-23-24-25)20-9-12-6-11-7-13(19)2-4-15(11)22-18(12)26/h2-8,10,20H,9H2,1H3,(H,22,26).
What are the key properties of 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one?
6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one has a molecular weight of 382.81 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 118955601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).