2-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine

C22H24N4O3 — CID 133436327

IUPAC2-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine
SMILESCc1cc(NCc2ccccc2CN2CCOCC2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C22H24N4O3/c1-16-13-20(19-7-4-8-21(26(27)28)22(19)24-16)23-14-17-5-2-3-6-18(17)15-25-9-11-29-12-10-25/h2-8,13H,9-12,14-15H2,1H3,(H,23,24)
InChIKeyYOMYTMUOOIXBFD-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.90
Rot. Bonds6

About 2-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine

2-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine (PubChem CID 133436327) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine
PubChem CID133436327
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine
SMILESCc1cc(NCc2ccccc2CN2CCOCC2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C22H24N4O3/c1-16-13-20(19-7-4-8-21(26(27)28)22(19)24-16)23-14-17-5-2-3-6-18(17)15-25-9-11-29-12-10-25/h2-8,13H,9-12,14-15H2,1H3,(H,23,24)
InChIKeyYOMYTMUOOIXBFD-UHFFFAOYSA-N
XLogP3.90
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine
CID 133436329
2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine
CID 133436556
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-methyl-8-nitroquinolin-4-amine
CID 133436805
N-methyl-2-[[(2-methyl-8-nitroquinolin-4-yl)amino]methyl]benzenesulfonamide
CID 133437263
1-[[3-[[(2-methyl-8-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 133436664
2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 133436969
2-(morpholin-4-ylmethyl)-6-nitro-N-propylaniline
CID 107350670
1-[4-[[(2-methyl-8-nitroquinolin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 133436361
N-(4-methoxy-2,2-dimethylbutyl)-2-methyl-8-nitroquinolin-4-amine
CID 133459651
N-benzyl-3-[(2-methyl-8-nitroquinolin-4-yl)amino]propanamide
CID 133437017
N-[(2-ethoxy-4-pyridinyl)methyl]-2-methyl-8-nitroquinolin-4-amine
CID 133436706
5-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrothiophen-2-amine
CID 133440559

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine?
The IUPAC name of 2-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine (CID 133436327) is 2-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine.
What is the SMILES notation for 2-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine?
The canonical SMILES for 2-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine is Cc1cc(NCc2ccccc2CN2CCOCC2)c2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of 2-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine?
The InChIKey is YOMYTMUOOIXBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-13-20(19-7-4-8-21(26(27)28)22(19)24-16)23-14-17-5-2-3-6-18(17)15-25-9-11-29-12-10-25/h2-8,13H,9-12,14-15H2,1H3,(H,23,24).
What are the key properties of 2-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine?
2-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine has a molecular weight of 392.46 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine is sourced from PubChem (CID 133436327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).