1-[(4-aminoquinazolin-7-yl)methyl]-3-(naphthalen-2-ylmethyl)piperazin-2-one

C24H23N5O — CID 70129166

IUPAC1-[(4-aminoquinazolin-7-yl)methyl]-3-(naphthalen-2-ylmethyl)piperazin-2-one
SMILESNc1ncnc2cc(CN3CCNC(Cc4ccc5ccccc5c4)C3=O)ccc12
InChIInChI=1S/C24H23N5O/c25-23-20-8-6-17(13-21(20)27-15-28-23)14-29-10-9-26-22(24(29)30)12-16-5-7-18-3-1-2-4-19(18)11-16/h1-8,11,13,15,22,26H,9-10,12,14H2,(H2,25,27,28)
InChIKeyBHLFGVCTTAQFNG-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.91
Rot. Bonds4

About 1-[(4-aminoquinazolin-7-yl)methyl]-3-(naphthalen-2-ylmethyl)piperazin-2-one

1-[(4-aminoquinazolin-7-yl)methyl]-3-(naphthalen-2-ylmethyl)piperazin-2-one (PubChem CID 70129166) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[(4-aminoquinazolin-7-yl)methyl]-3-(naphthalen-2-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(4-aminoquinazolin-7-yl)methyl]-3-(naphthalen-2-ylmethyl)piperazin-2-one
PubChem CID70129166
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name1-[(4-aminoquinazolin-7-yl)methyl]-3-(naphthalen-2-ylmethyl)piperazin-2-one
SMILESNc1ncnc2cc(CN3CCNC(Cc4ccc5ccccc5c4)C3=O)ccc12
InChIInChI=1S/C24H23N5O/c25-23-20-8-6-17(13-21(20)27-15-28-23)14-29-10-9-26-22(24(29)30)12-16-5-7-18-3-1-2-4-19(18)11-16/h1-8,11,13,15,22,26H,9-10,12,14H2,(H2,25,27,28)
InChIKeyBHLFGVCTTAQFNG-UHFFFAOYSA-N
XLogP2.91
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride
CID 20680716
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloronaphthalen-2-yl)methyl]-3-methylpiperazin-2-one
CID 54143172
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-3-benzyl-4-[(6-chloro-1-benzothiophen-2-yl)methyl]piperazin-2-one
CID 54421385
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-(6-hydroxynaphthalene-2-carbonyl)-3-propylpiperazin-2-one
CID 67014712
1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one
CID 69025109
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-[(3-chloro-1H-indol-6-yl)methyl]-3-methylpiperazin-2-one
CID 54160235
tert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate
CID 70070961
(5S)-3-methyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one
CID 59884171
1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(2-chlorophenyl)prop-2-ynyl]piperazin-2-one
CID 54148774
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-(6-chloro-1-benzothiophene-2-carbonyl)-3-methylpiperazin-2-one
CID 54117126
1-[(4-aminoquinazolin-7-yl)methyl]-4-[2-(4-chlorophenoxy)ethyl]piperazin-2-one
CID 54455575
(3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 20680552

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminoquinazolin-7-yl)methyl]-3-(naphthalen-2-ylmethyl)piperazin-2-one?
The IUPAC name of 1-[(4-aminoquinazolin-7-yl)methyl]-3-(naphthalen-2-ylmethyl)piperazin-2-one (CID 70129166) is 1-[(4-aminoquinazolin-7-yl)methyl]-3-(naphthalen-2-ylmethyl)piperazin-2-one.
What is the SMILES notation for 1-[(4-aminoquinazolin-7-yl)methyl]-3-(naphthalen-2-ylmethyl)piperazin-2-one?
The canonical SMILES for 1-[(4-aminoquinazolin-7-yl)methyl]-3-(naphthalen-2-ylmethyl)piperazin-2-one is Nc1ncnc2cc(CN3CCNC(Cc4ccc5ccccc5c4)C3=O)ccc12.
What is the InChIKey of 1-[(4-aminoquinazolin-7-yl)methyl]-3-(naphthalen-2-ylmethyl)piperazin-2-one?
The InChIKey is BHLFGVCTTAQFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c25-23-20-8-6-17(13-21(20)27-15-28-23)14-29-10-9-26-22(24(29)30)12-16-5-7-18-3-1-2-4-19(18)11-16/h1-8,11,13,15,22,26H,9-10,12,14H2,(H2,25,27,28).
What are the key properties of 1-[(4-aminoquinazolin-7-yl)methyl]-3-(naphthalen-2-ylmethyl)piperazin-2-one?
1-[(4-aminoquinazolin-7-yl)methyl]-3-(naphthalen-2-ylmethyl)piperazin-2-one has a molecular weight of 397.48 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminoquinazolin-7-yl)methyl]-3-(naphthalen-2-ylmethyl)piperazin-2-one is sourced from PubChem (CID 70129166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).