methyl N-[(3-amino-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate

C24H20N4O3 — CID 11618471

IUPACmethyl N-[(3-amino-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate
SMILESCOC(=O)N(NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H20N4O3/c1-31-24(30)28(17-12-6-3-7-13-17)27-23(29)20-18-14-8-9-15-19(18)26-22(21(20)25)16-10-4-2-5-11-16/h2-15H,25H2,1H3,(H,27,29)
InChIKeyKMGAMQKKBHVJSM-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.40
Rot. Bonds3

About methyl N-[(3-amino-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate

methyl N-[(3-amino-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate (PubChem CID 11618471) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is methyl N-[(3-amino-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate.

Molecular Properties

Compound Namemethyl N-[(3-amino-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate
PubChem CID11618471
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Namemethyl N-[(3-amino-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate
SMILESCOC(=O)N(NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H20N4O3/c1-31-24(30)28(17-12-6-3-7-13-17)27-23(29)20-18-14-8-9-15-19(18)26-22(21(20)25)16-10-4-2-5-11-16/h2-15H,25H2,1H3,(H,27,29)
InChIKeyKMGAMQKKBHVJSM-UHFFFAOYSA-N
XLogP4.40
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(3-amino-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate?
The IUPAC name of methyl N-[(3-amino-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate (CID 11618471) is methyl N-[(3-amino-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate.
What is the SMILES notation for methyl N-[(3-amino-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate?
The canonical SMILES for methyl N-[(3-amino-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate is COC(=O)N(NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of methyl N-[(3-amino-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate?
The InChIKey is KMGAMQKKBHVJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-31-24(30)28(17-12-6-3-7-13-17)27-23(29)20-18-14-8-9-15-19(18)26-22(21(20)25)16-10-4-2-5-11-16/h2-15H,25H2,1H3,(H,27,29).
What are the key properties of methyl N-[(3-amino-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate?
methyl N-[(3-amino-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate has a molecular weight of 412.45 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3-amino-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate is sourced from PubChem (CID 11618471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).