N-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

C38H55ClN10O6S2 — CID 157356646

IUPACN-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESC1COCCN1.CS(=O)(=O)NCC1CCCN(c2nc(Cl)nc3ccccc23)C1.CS(=O)(=O)NCC1CCCN(c2nc(N3CCOCC3)nc3ccccc23)C1
InChIInChI=1S/C19H27N5O3S.C15H19ClN4O2S.C4H9NO/c1-28(25,26)20-13-15-5-4-8-24(14-15)18-16-6-2-3-7-17(16)21-19(22-18)23-9-11-27-12-10-23;1-23(21,22)17-9-11-5-4-8-20(10-11)14-12-6-2-3-7-13(12)18-15(16)19-14;1-3-6-4-2-5-1/h2-3,6-7,15,20H,4-5,8-14H2,1H3;2-3,6-7,11,17H,4-5,8-10H2,1H3;5H,1-4H2
InChIKeyBIDUZJGCDZWZMB-UHFFFAOYSA-N
MW847.51 g/mol
LogP2.89
Rot. Bonds9

About N-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 157356646) has the molecular formula C38H55ClN10O6S2 and a molecular weight of 847.51 g/mol. Its IUPAC name is N-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID157356646
Molecular FormulaC38H55ClN10O6S2
Molecular Weight847.51 g/mol
Exact Mass846.34
IUPAC NameN-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESC1COCCN1.CS(=O)(=O)NCC1CCCN(c2nc(Cl)nc3ccccc23)C1.CS(=O)(=O)NCC1CCCN(c2nc(N3CCOCC3)nc3ccccc23)C1
InChIInChI=1S/C19H27N5O3S.C15H19ClN4O2S.C4H9NO/c1-28(25,26)20-13-15-5-4-8-24(14-15)18-16-6-2-3-7-17(16)21-19(22-18)23-9-11-27-12-10-23;1-23(21,22)17-9-11-5-4-8-20(10-11)14-12-6-2-3-7-13(12)18-15(16)19-14;1-3-6-4-2-5-1/h2-3,6-7,15,20H,4-5,8-14H2,1H3;2-3,6-7,11,17H,4-5,8-10H2,1H3;5H,1-4H2
InChIKeyBIDUZJGCDZWZMB-UHFFFAOYSA-N
XLogP2.89
TPSA184.11 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.51
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze N-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (CID 157356646) is N-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is C1COCCN1.CS(=O)(=O)NCC1CCCN(c2nc(Cl)nc3ccccc23)C1.CS(=O)(=O)NCC1CCCN(c2nc(N3CCOCC3)nc3ccccc23)C1.
What is the InChIKey of N-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is BIDUZJGCDZWZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S.C15H19ClN4O2S.C4H9NO/c1-28(25,26)20-13-15-5-4-8-24(14-15)18-16-6-2-3-7-17(16)21-19(22-18)23-9-11-27-12-10-23;1-23(21,22)17-9-11-5-4-8-20(10-11)14-12-6-2-3-7-13(12)18-15(16)19-14;1-3-6-4-2-5-1/h2-3,6-7,15,20H,4-5,8-14H2,1H3;2-3,6-7,11,17H,4-5,8-10H2,1H3;5H,1-4H2.
What are the key properties of N-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 847.51 g/mol, XLogP of 2.89, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 157356646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).