N-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide

C28H24N4O4 — CID 18846915

IUPACN-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C28H24N4O4/c1-36-19-14-16-24(26(17-19)32(34)35)30-27(33)12-6-9-21-20-8-3-5-11-23(20)31-28(21)25-15-13-18-7-2-4-10-22(18)29-25/h2-5,7-8,10-11,13-17,31H,6,9,12H2,1H3,(H,30,33)
InChIKeyYJFPNYZUJBOVCU-UHFFFAOYSA-N
MW480.52 g/mol
LogP6.26
Rot. Bonds8

About N-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide

N-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18846915) has the molecular formula C28H24N4O4 and a molecular weight of 480.52 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18846915
Molecular FormulaC28H24N4O4
Molecular Weight480.52 g/mol
Exact Mass480.18
IUPAC NameN-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C28H24N4O4/c1-36-19-14-16-24(26(17-19)32(34)35)30-27(33)12-6-9-21-20-8-3-5-11-23(20)31-28(21)25-15-13-18-7-2-4-10-22(18)29-25/h2-5,7-8,10-11,13-17,31H,6,9,12H2,1H3,(H,30,33)
InChIKeyYJFPNYZUJBOVCU-UHFFFAOYSA-N
XLogP6.26
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxy-2-nitrophenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847083
N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846841
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(2-nitrophenyl)butanamide
CID 18847240
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide
CID 18847417
N-(5-chloro-2-methoxyphenyl)-4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847160
N-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846860
N-(1,3-benzothiazol-2-yl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846883
4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
CID 18847099
N-(2-bromo-5-nitrophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847388
N-(4-butylphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846827
N-(4-ethoxyphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847080
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide
CID 18847249

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide (CID 18846915) is N-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide is COc1ccc(NC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccccc23)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is YJFPNYZUJBOVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O4/c1-36-19-14-16-24(26(17-19)32(34)35)30-27(33)12-6-9-21-20-8-3-5-11-23(20)31-28(21)25-15-13-18-7-2-4-10-22(18)29-25/h2-5,7-8,10-11,13-17,31H,6,9,12H2,1H3,(H,30,33).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide?
N-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 480.52 g/mol, XLogP of 6.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18846915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).