N-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide

C29H29N5O3 — CID 135881108

IUPACN-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)c1ccccc1
InChIInChI=1S/C29H29N5O3/c35-27(22-11-5-2-6-12-22)31-25(19-21-9-3-1-4-10-21)29(37)34-17-15-33(16-18-34)20-26-30-24-14-8-7-13-23(24)28(36)32-26/h1-14,25H,15-20H2,(H,31,35)(H,30,32,36)/t25-/m1/s1
InChIKeyPUGMJRLZGASOAG-RUZDIDTESA-N
MW495.58 g/mol
LogP2.61
Rot. Bonds7

About N-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide

N-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide (PubChem CID 135881108) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide
PubChem CID135881108
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC NameN-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)c1ccccc1
InChIInChI=1S/C29H29N5O3/c35-27(22-11-5-2-6-12-22)31-25(19-21-9-3-1-4-10-21)29(37)34-17-15-33(16-18-34)20-26-30-24-14-8-7-13-23(24)28(36)32-26/h1-14,25H,15-20H2,(H,31,35)(H,30,32,36)/t25-/m1/s1
InChIKeyPUGMJRLZGASOAG-RUZDIDTESA-N
XLogP2.61
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135480830
2-[[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135891492
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135429215
N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
CID 119400548
4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide
CID 135960547
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
N-(2-bromophenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide
CID 170555974
2-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 136868764
N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46512979
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
2-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135899756

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide (CID 135881108) is N-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide is O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)c1ccccc1.
What is the InChIKey of N-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide?
The InChIKey is PUGMJRLZGASOAG-RUZDIDTESA-N. The full InChI is InChI=1S/C29H29N5O3/c35-27(22-11-5-2-6-12-22)31-25(19-21-9-3-1-4-10-21)29(37)34-17-15-33(16-18-34)20-26-30-24-14-8-7-13-23(24)28(36)32-26/h1-14,25H,15-20H2,(H,31,35)(H,30,32,36)/t25-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide?
N-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide has a molecular weight of 495.58 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 135881108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).