N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide

C22H29N5O3 — CID 137278349

IUPACN-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C22H29N5O3/c1-15(21(29)23-16-9-10-16)26-11-13-27(14-12-26)20(28)8-4-7-19-24-18-6-3-2-5-17(18)22(30)25-19/h2-3,5-6,15-16H,4,7-14H2,1H3,(H,23,29)(H,24,25,30)
InChIKeyZHQFUMXUWLORBE-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.06
Rot. Bonds7

About N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide (PubChem CID 137278349) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide
PubChem CID137278349
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC NameN-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C22H29N5O3/c1-15(21(29)23-16-9-10-16)26-11-13-27(14-12-26)20(28)8-4-7-19-24-18-6-3-2-5-17(18)22(30)25-19/h2-3,5-6,15-16H,4,7-14H2,1H3,(H,23,29)(H,24,25,30)
InChIKeyZHQFUMXUWLORBE-UHFFFAOYSA-N
XLogP1.06
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide with MolForge

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Related Compounds

2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 135949295
2-[4-[4-(2,1-benzoxazol-3-yl)piperazin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136628924
2-[4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-oxobutyl]-3H-quinazolin-4-one;hydrochloride
CID 137078552
2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 135933709
N-cyclopropyl-2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]propanamide
CID 86979582
2-[4-[4-[(2E)-2-(dimethylaminomethylidene)but-3-enoyl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 137218698
2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 137309600
1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide
CID 137316079
2-[4-[3-(2-aminophenyl)propanoyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 120612201
2-[4-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136545155
methane;2-[4-[4-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one;(1-methylimidazol-2-yl)-piperidin-4-ylmethanone;4-(4-oxo-3H-quinazolin-2-yl)butanoic acid
CID 158124837
N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 51299599

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide (CID 137278349) is N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide is CC(C(=O)NC1CC1)N1CCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide?
The InChIKey is ZHQFUMXUWLORBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-15(21(29)23-16-9-10-16)26-11-13-27(14-12-26)20(28)8-4-7-19-24-18-6-3-2-5-17(18)22(30)25-19/h2-3,5-6,15-16H,4,7-14H2,1H3,(H,23,29)(H,24,25,30).
What are the key properties of N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide has a molecular weight of 411.51 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 137278349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).