N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

C24H32N4O3 — CID 156591480

IUPACN-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide
SMILESCCCCCN1C(=O)NC2CC(C(=O)NCCc3c[nH]c4ccccc34)CCC2C1=O
InChIInChI=1S/C24H32N4O3/c1-2-3-6-13-28-23(30)19-10-9-16(14-21(19)27-24(28)31)22(29)25-12-11-17-15-26-20-8-5-4-7-18(17)20/h4-5,7-8,15-16,19,21,26H,2-3,6,9-14H2,1H3,(H,25,29)(H,27,31)
InChIKeyLHTRJRZMCOWMEH-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.35
Rot. Bonds8

About N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide (PubChem CID 156591480) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide
PubChem CID156591480
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide
SMILESCCCCCN1C(=O)NC2CC(C(=O)NCCc3c[nH]c4ccccc34)CCC2C1=O
InChIInChI=1S/C24H32N4O3/c1-2-3-6-13-28-23(30)19-10-9-16(14-21(19)27-24(28)31)22(29)25-12-11-17-15-26-20-8-5-4-7-18(17)20/h4-5,7-8,15-16,19,21,26H,2-3,6,9-14H2,1H3,(H,25,29)(H,27,31)
InChIKeyLHTRJRZMCOWMEH-UHFFFAOYSA-N
XLogP3.35
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide 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

methyl 3-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxylate
CID 156592689
4-(6-bromo-2,4-dioxo-4a,5,6,7,8,8a-hexahydro-1H-quinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 78328422
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145446
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide
CID 90754390
4-(6-bromo-4-oxo-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 78352056
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119674415
3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide
CID 119778828

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide (CID 156591480) is N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide is CCCCCN1C(=O)NC2CC(C(=O)NCCc3c[nH]c4ccccc34)CCC2C1=O.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide?
The InChIKey is LHTRJRZMCOWMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-2-3-6-13-28-23(30)19-10-9-16(14-21(19)27-24(28)31)22(29)25-12-11-17-15-26-20-8-5-4-7-18(17)20/h4-5,7-8,15-16,19,21,26H,2-3,6,9-14H2,1H3,(H,25,29)(H,27,31).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 156591480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).