3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide

C28H29N5O3 — CID 69189993

IUPAC3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(NCCCN2CCCC2)cc1)c1cccc(-n2c(=O)[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C28H29N5O3/c34-26(30-22-13-11-21(12-14-22)29-15-6-18-32-16-3-4-17-32)20-7-5-8-23(19-20)33-27(35)24-9-1-2-10-25(24)31-28(33)36/h1-2,5,7-14,19,29H,3-4,6,15-18H2,(H,30,34)(H,31,36)
InChIKeyNXZVNZQBFJMLAA-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.83
Rot. Bonds8

About 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide

3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide (PubChem CID 69189993) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide
PubChem CID69189993
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(NCCCN2CCCC2)cc1)c1cccc(-n2c(=O)[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C28H29N5O3/c34-26(30-22-13-11-21(12-14-22)29-15-6-18-32-16-3-4-17-32)20-7-5-8-23(19-20)33-27(35)24-9-1-2-10-25(24)31-28(33)36/h1-2,5,7-14,19,29H,3-4,6,15-18H2,(H,30,34)(H,31,36)
InChIKeyNXZVNZQBFJMLAA-UHFFFAOYSA-N
XLogP3.83
TPSA99.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide 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

3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-pyrrolidin-1-ylpropanoylamino)phenyl]benzamide
CID 91004250
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide
CID 69190485
2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide
CID 41277198
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide
CID 25179288
N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide
CID 61494179
N-(2-morpholin-4-ylethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 22109781
3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazoline-2,4-dione
CID 157416669
3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82513951
2,4-dioxo-3-(2-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)-1H-quinazoline-7-carboxamide
CID 3241648
3-ethyl-2,4-dioxo-N-(4-piperidin-1-ylphenyl)-1H-quinazoline-7-carboxamide
CID 55810948
N-(6-piperidin-1-ylhexyl)aniline
CID 70509590
N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide
CID 168515887

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide?
The IUPAC name of 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide (CID 69189993) is 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide.
What is the SMILES notation for 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide?
The canonical SMILES for 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide is O=C(Nc1ccc(NCCCN2CCCC2)cc1)c1cccc(-n2c(=O)[nH]c3ccccc3c2=O)c1.
What is the InChIKey of 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide?
The InChIKey is NXZVNZQBFJMLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c34-26(30-22-13-11-21(12-14-22)29-15-6-18-32-16-3-4-17-32)20-7-5-8-23(19-20)33-27(35)24-9-1-2-10-25(24)31-28(33)36/h1-2,5,7-14,19,29H,3-4,6,15-18H2,(H,30,34)(H,31,36).
What are the key properties of 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide?
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide has a molecular weight of 483.57 g/mol, XLogP of 3.83, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide is sourced from PubChem (CID 69189993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).