[4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]-naphthalen-2-ylmethanone

C23H22N6O — CID 25005572

IUPAC[4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESNc1nc(N)c2c(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)cccc2n1
InChIInChI=1S/C23H22N6O/c24-21-20-18(26-23(25)27-21)6-3-7-19(20)28-10-12-29(13-11-28)22(30)17-9-8-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2,(H4,24,25,26,27)
InChIKeyJRBZSISPXRGQPT-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.91
Rot. Bonds2

About [4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]-naphthalen-2-ylmethanone

[4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 25005572) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is [4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
PubChem CID25005572
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name[4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESNc1nc(N)c2c(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)cccc2n1
InChIInChI=1S/C23H22N6O/c24-21-20-18(26-23(25)27-21)6-3-7-19(20)28-10-12-29(13-11-28)22(30)17-9-8-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2,(H4,24,25,26,27)
InChIKeyJRBZSISPXRGQPT-UHFFFAOYSA-N
XLogP2.91
TPSA101.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399464
[4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2120761
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2097236
naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341422
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 56699157
naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 10573019
4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid
CID 22399182
[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053925
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
cyclopropyl-[4-(naphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 9389888
[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
CID 31537716

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]-naphthalen-2-ylmethanone (CID 25005572) is [4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]-naphthalen-2-ylmethanone is Nc1nc(N)c2c(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)cccc2n1.
What is the InChIKey of [4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is JRBZSISPXRGQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c24-21-20-18(26-23(25)27-21)6-3-7-19(20)28-10-12-29(13-11-28)22(30)17-9-8-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2,(H4,24,25,26,27).
What are the key properties of [4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]-naphthalen-2-ylmethanone?
[4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 398.47 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 25005572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).