[4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone

C24H25N7O4 — CID 70580702

IUPAC[4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone
SMILESCOc1cc2c(N)nc(N3CCN(C(=O)c4nc5cccccc-5n4)CC3)nc2c(OC)c1OC
InChIInChI=1S/C24H25N7O4/c1-33-17-13-14-18(20(35-3)19(17)34-2)28-24(29-21(14)25)31-11-9-30(10-12-31)23(32)22-26-15-7-5-4-6-8-16(15)27-22/h4-8,13H,9-12H2,1-3H3,(H2,25,28,29)
InChIKeyCQIHANFLWYUFKD-UHFFFAOYSA-N
MW475.51 g/mol
LogP2.10
Rot. Bonds5

About [4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone

[4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone (PubChem CID 70580702) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 g/mol. Its IUPAC name is [4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone
PubChem CID70580702
Molecular FormulaC24H25N7O4
Molecular Weight475.51 g/mol
Exact Mass475.20
IUPAC Name[4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone
SMILESCOc1cc2c(N)nc(N3CCN(C(=O)c4nc5cccccc-5n4)CC3)nc2c(OC)c1OC
InChIInChI=1S/C24H25N7O4/c1-33-17-13-14-18(20(35-3)19(17)34-2)28-24(29-21(14)25)31-11-9-30(10-12-31)23(32)22-26-15-7-5-4-6-8-16(15)27-22/h4-8,13H,9-12H2,1-3H3,(H2,25,28,29)
InChIKeyCQIHANFLWYUFKD-UHFFFAOYSA-N
XLogP2.10
TPSA128.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone with MolForge

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Related Compounds

[4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone
CID 12920030
butyl 4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazine-1-carboxylate
CID 134115334
4-(4-amino-8-cyano-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carboxylic acid
CID 151977300
bis(6,7,8-trimethoxy-2-piperazin-1-ylquinazolin-4-amine);hydrate
CID 70479861
4-(4-amino-8-fluoro-6,7-dimethoxyquinazolin-2-yl)-3-pyridin-2-ylpiperazine-1-carboxylic acid
CID 138595716
2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate
CID 12920024
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 54245050
(2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate
CID 12920026
(2R)-4-[4-(4-amino-8-fluoro-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-4-oxobutanamide
CID 118047178
3-amino-1-[4-(4-amino-8-fluoro-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(2,4-difluorophenyl)propan-1-one
CID 72709112
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 13053562
1-[4-(4-amino-8-fluoro-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-[(3S)-piperidin-3-yl]ethanone
CID 118046391

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone?
The IUPAC name of [4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone (CID 70580702) is [4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone.
What is the SMILES notation for [4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone?
The canonical SMILES for [4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone is COc1cc2c(N)nc(N3CCN(C(=O)c4nc5cccccc-5n4)CC3)nc2c(OC)c1OC.
What is the InChIKey of [4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone?
The InChIKey is CQIHANFLWYUFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4/c1-33-17-13-14-18(20(35-3)19(17)34-2)28-24(29-21(14)25)31-11-9-30(10-12-31)23(32)22-26-15-7-5-4-6-8-16(15)27-22/h4-8,13H,9-12H2,1-3H3,(H2,25,28,29).
What are the key properties of [4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone?
[4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone has a molecular weight of 475.51 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone is sourced from PubChem (CID 70580702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).