N-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C30H29F2N5O5S — CID 176912998

IUPACN-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc(OC3CCN(C(=O)C4CC4)CC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C30H29F2N5O5S/c1-17-23-11-19(13-26(28(23)35-16-34-17)42-22-7-9-37(10-8-22)30(38)18-3-4-18)20-12-25(29(41-2)33-15-20)36-43(39,40)27-6-5-21(31)14-24(27)32/h5-6,11-16,18,22,36H,3-4,7-10H2,1-2H3
InChIKeyJMZRBHKCHGZYEH-UHFFFAOYSA-N
MW609.66 g/mol
LogP4.87
Rot. Bonds8

About N-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 176912998) has the molecular formula C30H29F2N5O5S and a molecular weight of 609.66 g/mol. Its IUPAC name is N-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID176912998
Molecular FormulaC30H29F2N5O5S
Molecular Weight609.66 g/mol
Exact Mass609.19
IUPAC NameN-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc(OC3CCN(C(=O)C4CC4)CC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C30H29F2N5O5S/c1-17-23-11-19(13-26(28(23)35-16-34-17)42-22-7-9-37(10-8-22)30(38)18-3-4-18)20-12-25(29(41-2)33-15-20)36-43(39,40)27-6-5-21(31)14-24(27)32/h5-6,11-16,18,22,36H,3-4,7-10H2,1-2H3
InChIKeyJMZRBHKCHGZYEH-UHFFFAOYSA-N
XLogP4.87
TPSA123.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.66
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[2-amino-4-methyl-8-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197556
2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 135197569
N-[5-[8-(difluoromethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197573
N-[(2,4-difluorophenyl)-methylidene-oxo-λ6-sulfanyl]-2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]pyridin-3-amine
CID 167602403
N-(2-aminophenyl)-7-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxyheptanamide
CID 169494474
N-(2-aminophenyl)-6-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxyhexanamide
CID 170554560
[2-[6-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxyhexanoylamino]phenyl] carbamate
CID 175518840
[2-[9-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxynonanoylamino]phenyl] carbamate
CID 175518851
6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline
CID 176913009
N-(2-aminophenyl)-4-[[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxymethyl]benzamide
CID 170554614
ethyl 2-[3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxypropyl-methylamino]pyrimidine-5-carboxylate
CID 155666422
6-[5-[[(2,4-difluorophenyl)-methylidene-oxo-λ6-sulfanyl]amino]-6-methoxy-3-pyridinyl]-N-ethyl-4-methyl-8-(oxan-4-yloxy)quinazolin-2-amine
CID 167602832

Frequently Asked Questions

What is the IUPAC name of N-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 176912998) is N-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is COc1ncc(-c2cc(OC3CCN(C(=O)C4CC4)CC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is JMZRBHKCHGZYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N5O5S/c1-17-23-11-19(13-26(28(23)35-16-34-17)42-22-7-9-37(10-8-22)30(38)18-3-4-18)20-12-25(29(41-2)33-15-20)36-43(39,40)27-6-5-21(31)14-24(27)32/h5-6,11-16,18,22,36H,3-4,7-10H2,1-2H3.
What are the key properties of N-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 609.66 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 176912998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).