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

C27H25N5O4 — CID 25179288

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide
SMILESO=C(CN1CCCC1)Nc1ccc(NC(=O)c2ccccc2-n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C27H25N5O4/c33-24(17-31-15-5-6-16-31)28-18-11-13-19(14-12-18)29-25(34)21-8-2-4-10-23(21)32-26(35)20-7-1-3-9-22(20)30-27(32)36/h1-4,7-14H,5-6,15-17H2,(H,28,33)(H,29,34)(H,30,36)
InChIKeyYRJAMRAWJVSWJZ-UHFFFAOYSA-N
MW483.53 g/mol
LogP2.97
Rot. Bonds6

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

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide (PubChem CID 25179288) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide
PubChem CID25179288
Molecular FormulaC27H25N5O4
Molecular Weight483.53 g/mol
Exact Mass483.19
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide
SMILESO=C(CN1CCCC1)Nc1ccc(NC(=O)c2ccccc2-n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C27H25N5O4/c33-24(17-31-15-5-6-16-31)28-18-11-13-19(14-12-18)29-25(34)21-8-2-4-10-23(21)32-26(35)20-7-1-3-9-22(20)30-27(32)36/h1-4,7-14H,5-6,15-17H2,(H,28,33)(H,29,34)(H,30,36)
InChIKeyYRJAMRAWJVSWJZ-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

3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide
CID 69190485
2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide
CID 119946943
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-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide
CID 69189993
1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea
CID 172640271
N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 2552865
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 4975182
3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 11266204
N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 17435797
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 55600588
methyl 3-[[2-(azepan-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 658228
2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride
CID 53347149

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide (CID 25179288) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide is O=C(CN1CCCC1)Nc1ccc(NC(=O)c2ccccc2-n2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide?
The InChIKey is YRJAMRAWJVSWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c33-24(17-31-15-5-6-16-31)28-18-11-13-19(14-12-18)29-25(34)21-8-2-4-10-23(21)32-26(35)20-7-1-3-9-22(20)30-27(32)36/h1-4,7-14H,5-6,15-17H2,(H,28,33)(H,29,34)(H,30,36).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[(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 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 25179288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).