2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline

C19H27N5O2S — CID 134706927

IUPAC2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline
SMILESCc1nc(N2CCCN(S(=O)(=O)N3CCCCC3)CC2)c2ccccc2n1
InChIInChI=1S/C19H27N5O2S/c1-16-20-18-9-4-3-8-17(18)19(21-16)22-10-7-13-24(15-14-22)27(25,26)23-11-5-2-6-12-23/h3-4,8-9H,2,5-7,10-15H2,1H3
InChIKeyGBILECLKAJYNQH-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.18
Rot. Bonds3

About 2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline

2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline (PubChem CID 134706927) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline.

Molecular Properties

Compound Name2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline
PubChem CID134706927
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline
SMILESCc1nc(N2CCCN(S(=O)(=O)N3CCCCC3)CC2)c2ccccc2n1
InChIInChI=1S/C19H27N5O2S/c1-16-20-18-9-4-3-8-17(18)19(21-16)22-10-7-13-24(15-14-22)27(25,26)23-11-5-2-6-12-23/h3-4,8-9H,2,5-7,10-15H2,1H3
InChIKeyGBILECLKAJYNQH-UHFFFAOYSA-N
XLogP2.18
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azepan-1-yl)-2-methylquinazoline chloride
CID 53351740
2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline
CID 62993464
4-(azepan-1-yl)quinazolin-2-amine
CID 80764088
4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]quinazoline
CID 17455125
4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline
CID 178089563
2-[(1R)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 59993462
2-[(1R)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 92753675
2-[(1R)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 98046943
4-(azepan-1-yl)-7-bromo-2-methylquinazoline
CID 69428086
4,5-dimethyl-6-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 72840000
4-pyrrolidin-1-ylquinazolin-2-amine
CID 57342786
4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline
CID 146106523

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline?
The IUPAC name of 2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline (CID 134706927) is 2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline.
What is the SMILES notation for 2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline?
The canonical SMILES for 2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline is Cc1nc(N2CCCN(S(=O)(=O)N3CCCCC3)CC2)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline?
The InChIKey is GBILECLKAJYNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-16-20-18-9-4-3-8-17(18)19(21-16)22-10-7-13-24(15-14-22)27(25,26)23-11-5-2-6-12-23/h3-4,8-9H,2,5-7,10-15H2,1H3.
What are the key properties of 2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline?
2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline has a molecular weight of 389.53 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline is sourced from PubChem (CID 134706927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).