N-[[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-(2-methylpropyl)methanesulfonamide

C22H27ClN4O3S — CID 90232693

IUPACN-[[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CN(Cc1cccc(-n2c(C(C)N)nc3cccc(Cl)c3c2=O)c1)S(C)(=O)=O
InChIInChI=1S/C22H27ClN4O3S/c1-14(2)12-26(31(4,29)30)13-16-7-5-8-17(11-16)27-21(15(3)24)25-19-10-6-9-18(23)20(19)22(27)28/h5-11,14-15H,12-13,24H2,1-4H3
InChIKeyUZKWCMPESBVZRM-UHFFFAOYSA-N
MW463.00 g/mol
LogP3.48
Rot. Bonds7

About N-[[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-(2-methylpropyl)methanesulfonamide

N-[[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-(2-methylpropyl)methanesulfonamide (PubChem CID 90232693) has the molecular formula C22H27ClN4O3S and a molecular weight of 463.00 g/mol. Its IUPAC name is N-[[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-(2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-[[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-(2-methylpropyl)methanesulfonamide
PubChem CID90232693
Molecular FormulaC22H27ClN4O3S
Molecular Weight463.00 g/mol
Exact Mass462.15
IUPAC NameN-[[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CN(Cc1cccc(-n2c(C(C)N)nc3cccc(Cl)c3c2=O)c1)S(C)(=O)=O
InChIInChI=1S/C22H27ClN4O3S/c1-14(2)12-26(31(4,29)30)13-16-7-5-8-17(11-16)27-21(15(3)24)25-19-10-6-9-18(23)20(19)22(27)28/h5-11,14-15H,12-13,24H2,1-4H3
InChIKeyUZKWCMPESBVZRM-UHFFFAOYSA-N
XLogP3.48
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.00
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-(2-methylpropyl)methanesulfonamide 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

N-[[3-[2-[(1S)-1-aminoethyl]-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-methylmethanesulfonamide
CID 90232633
2-[(1S)-1-aminoethyl]-5-chloro-3-[3-(difluoromethyl)phenyl]quinazolin-4-one
CID 90234520
N-[[3-[2-[1-[[6-amino-5-[2-(5-fluoro-2-pyridinyl)ethynyl]pyrimidin-4-yl]-methylamino]ethyl]-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-methylmethanesulfonamide
CID 90233043
1-[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]-3-(2-chlorophenyl)urea
CID 118571354
tert-butyl-[1-[3-(3-butylphenyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]carbamic acid
CID 90236686
3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one
CID 123454317
2-(1-aminoethyl)-3-[3-(difluoromethyl)phenyl]-5-methylsulfonylquinazolin-4-one
CID 90235952
2-[(1S)-1-amino-3-methylbutyl]-5-chloro-3-(3,5-difluorophenyl)quinazolin-4-one
CID 90235635
2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
CID 155191424
2-[(1S)-1-aminoethyl]-5-chloro-3-(1H-pyrrol-2-yl)quinazolin-4-one
CID 118575357
2-[(1S)-1-aminoethyl]-3-(3,5-dichlorophenyl)-5-fluoroquinazolin-4-one
CID 90235762
2-[(1S)-1-aminoethyl]-3-(3,5-difluorophenyl)-5-methylsulfonylquinazolin-4-one
CID 90235143

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-(2-methylpropyl)methanesulfonamide?
The IUPAC name of N-[[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-(2-methylpropyl)methanesulfonamide (CID 90232693) is N-[[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-(2-methylpropyl)methanesulfonamide.
What is the SMILES notation for N-[[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-(2-methylpropyl)methanesulfonamide?
The canonical SMILES for N-[[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-(2-methylpropyl)methanesulfonamide is CC(C)CN(Cc1cccc(-n2c(C(C)N)nc3cccc(Cl)c3c2=O)c1)S(C)(=O)=O.
What is the InChIKey of N-[[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-(2-methylpropyl)methanesulfonamide?
The InChIKey is UZKWCMPESBVZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3S/c1-14(2)12-26(31(4,29)30)13-16-7-5-8-17(11-16)27-21(15(3)24)25-19-10-6-9-18(23)20(19)22(27)28/h5-11,14-15H,12-13,24H2,1-4H3.
What are the key properties of N-[[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-(2-methylpropyl)methanesulfonamide?
N-[[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-(2-methylpropyl)methanesulfonamide has a molecular weight of 463.00 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-(2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 90232693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).