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

C27H25N5O4 — CID 69190485

IUPAC3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide
SMILESO=C(CN1CCCC1)Nc1cccc(NC(=O)c2cccc(-n3c(=O)[nH]c4ccccc4c3=O)c2)c1
InChIInChI=1S/C27H25N5O4/c33-24(17-31-13-3-4-14-31)28-19-8-6-9-20(16-19)29-25(34)18-7-5-10-21(15-18)32-26(35)22-11-1-2-12-23(22)30-27(32)36/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,28,33)(H,29,34)(H,30,36)
InChIKeyQLJIWDQRHVXERJ-UHFFFAOYSA-N
MW483.53 g/mol
LogP2.97
Rot. Bonds6

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

3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide (PubChem CID 69190485) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide
PubChem CID69190485
Molecular FormulaC27H25N5O4
Molecular Weight483.53 g/mol
Exact Mass483.19
IUPAC Name3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide
SMILESO=C(CN1CCCC1)Nc1cccc(NC(=O)c2cccc(-n3c(=O)[nH]c4ccccc4c3=O)c2)c1
InChIInChI=1S/C27H25N5O4/c33-24(17-31-13-3-4-14-31)28-19-8-6-9-20(16-19)29-25(34)18-7-5-10-21(15-18)32-26(35)22-11-1-2-12-23(22)30-27(32)36/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,28,33)(H,29,34)(H,30,36)
InChIKeyQLJIWDQRHVXERJ-UHFFFAOYSA-N
XLogP2.97
TPSA116.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide?
The IUPAC name of 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide (CID 69190485) is 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide is O=C(CN1CCCC1)Nc1cccc(NC(=O)c2cccc(-n3c(=O)[nH]c4ccccc4c3=O)c2)c1.
What is the InChIKey of 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide?
The InChIKey is QLJIWDQRHVXERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c33-24(17-31-13-3-4-14-31)28-19-8-6-9-20(16-19)29-25(34)18-7-5-10-21(15-18)32-26(35)22-11-1-2-12-23(22)30-27(32)36/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,28,33)(H,29,34)(H,30,36).
What are the key properties of 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide?
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide has a molecular weight of 483.53 g/mol, XLogP of 2.97, 6 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-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 69190485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).