N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]cyclopropanesulfonamide

C25H32N6O3S — CID 163302466

IUPACN-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]cyclopropanesulfonamide
SMILESCCc1cc(-c2ccc(NS(=O)(=O)C3CC3)nc2OC)cc2cnc(NC3CCC(N)CC3)nc12
InChIInChI=1S/C25H32N6O3S/c1-3-15-12-16(21-10-11-22(29-24(21)34-2)31-35(32,33)20-8-9-20)13-17-14-27-25(30-23(15)17)28-19-6-4-18(26)5-7-19/h10-14,18-20H,3-9,26H2,1-2H3,(H,29,31)(H,27,28,30)
InChIKeyYPNVAXOTKIGRRA-UHFFFAOYSA-N
MW496.64 g/mol
LogP3.85
Rot. Bonds8

About N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]cyclopropanesulfonamide

N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]cyclopropanesulfonamide (PubChem CID 163302466) has the molecular formula C25H32N6O3S and a molecular weight of 496.64 g/mol. Its IUPAC name is N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]cyclopropanesulfonamide
PubChem CID163302466
Molecular FormulaC25H32N6O3S
Molecular Weight496.64 g/mol
Exact Mass496.23
IUPAC NameN-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]cyclopropanesulfonamide
SMILESCCc1cc(-c2ccc(NS(=O)(=O)C3CC3)nc2OC)cc2cnc(NC3CCC(N)CC3)nc12
InChIInChI=1S/C25H32N6O3S/c1-3-15-12-16(21-10-11-22(29-24(21)34-2)31-35(32,33)20-8-9-20)13-17-14-27-25(30-23(15)17)28-19-6-4-18(26)5-7-19/h10-14,18-20H,3-9,26H2,1-2H3,(H,29,31)(H,27,28,30)
InChIKeyYPNVAXOTKIGRRA-UHFFFAOYSA-N
XLogP3.85
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]cyclopropanesulfonamide (CID 163302466) is N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]cyclopropanesulfonamide is CCc1cc(-c2ccc(NS(=O)(=O)C3CC3)nc2OC)cc2cnc(NC3CCC(N)CC3)nc12.
What is the InChIKey of N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]cyclopropanesulfonamide?
The InChIKey is YPNVAXOTKIGRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3S/c1-3-15-12-16(21-10-11-22(29-24(21)34-2)31-35(32,33)20-8-9-20)13-17-14-27-25(30-23(15)17)28-19-6-4-18(26)5-7-19/h10-14,18-20H,3-9,26H2,1-2H3,(H,29,31)(H,27,28,30).
What are the key properties of N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]cyclopropanesulfonamide?
N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]cyclopropanesulfonamide has a molecular weight of 496.64 g/mol, XLogP of 3.85, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 163302466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).