N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine

C22H24N4O3 — CID 133436364

IUPACN,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine
SMILESCc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C22H24N4O3/c1-16-14-21(19-4-3-5-20(26(27)28)22(19)23-16)24(2)15-17-6-8-18(9-7-17)25-10-12-29-13-11-25/h3-9,14H,10-13,15H2,1-2H3
InChIKeyJUSACLSYPJUJMP-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.92
Rot. Bonds5

About N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine

N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine (PubChem CID 133436364) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine
PubChem CID133436364
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine
SMILESCc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C22H24N4O3/c1-16-14-21(19-4-3-5-20(26(27)28)22(19)23-16)24(2)15-17-6-8-18(9-7-17)25-10-12-29-13-11-25/h3-9,14H,10-13,15H2,1-2H3
InChIKeyJUSACLSYPJUJMP-UHFFFAOYSA-N
XLogP3.92
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-8-nitro-N-(oxan-2-ylmethyl)quinolin-4-amine
CID 133436864
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-methyl-8-nitroquinolin-4-amine
CID 133436805
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
2-[methyl-(2-methyl-8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 133436322
2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine
CID 133436658
2-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine
CID 133436327
2,4-dimethyl-8-nitroquinoline
CID 608736
N,N-dimethyl-1-(2-methyl-8-nitroquinolin-4-yl)pyrrolidin-3-amine
CID 133437157
2-(dimethylamino)-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]ethanone
CID 133436628
N-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]ethanesulfonamide
CID 133437306
2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 133436969

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine?
The IUPAC name of N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine (CID 133436364) is N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine?
The canonical SMILES for N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine is Cc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)c2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine?
The InChIKey is JUSACLSYPJUJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-14-21(19-4-3-5-20(26(27)28)22(19)23-16)24(2)15-17-6-8-18(9-7-17)25-10-12-29-13-11-25/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine?
N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine has a molecular weight of 392.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine is sourced from PubChem (CID 133436364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).