[4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone

C21H23N5O3 — CID 12920030

IUPAC[4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc2c(N)nc(N3CCN(C(=O)c4ccccc4)CC3)nc2c1OC
InChIInChI=1S/C21H23N5O3/c1-28-16-9-8-15-17(18(16)29-2)23-21(24-19(15)22)26-12-10-25(11-13-26)20(27)14-6-4-3-5-7-14/h3-9H,10-13H2,1-2H3,(H2,22,23,24)
InChIKeyAJWIBEGALRHXLV-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.19
Rot. Bonds4

About [4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone

[4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone (PubChem CID 12920030) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is [4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone
PubChem CID12920030
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name[4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc2c(N)nc(N3CCN(C(=O)c4ccccc4)CC3)nc2c1OC
InChIInChI=1S/C21H23N5O3/c1-28-16-9-8-15-17(18(16)29-2)23-21(24-19(15)22)26-12-10-25(11-13-26)20(27)14-6-4-3-5-7-14/h3-9H,10-13H2,1-2H3,(H2,22,23,24)
InChIKeyAJWIBEGALRHXLV-UHFFFAOYSA-N
XLogP2.19
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate
CID 12920026
2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate
CID 12920024
[4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone
CID 70580702
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 13053562
4-(4-amino-8-cyano-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carboxylic acid
CID 151977300
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
butyl 4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazine-1-carboxylate
CID 134115334
[4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 134799674
(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 7892809

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone (CID 12920030) is [4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone is COc1ccc2c(N)nc(N3CCN(C(=O)c4ccccc4)CC3)nc2c1OC.
What is the InChIKey of [4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone?
The InChIKey is AJWIBEGALRHXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-28-16-9-8-15-17(18(16)29-2)23-21(24-19(15)22)26-12-10-25(11-13-26)20(27)14-6-4-3-5-7-14/h3-9H,10-13H2,1-2H3,(H2,22,23,24).
What are the key properties of [4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone?
[4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone has a molecular weight of 393.45 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 12920030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).