N-[4-[[6-(benzenesulfonamido)-3-pyridinyl]amino]-7-methoxyquinazolin-6-yl]propanamide

C23H22N6O4S — CID 134140949

IUPACN-[4-[[6-(benzenesulfonamido)-3-pyridinyl]amino]-7-methoxyquinazolin-6-yl]propanamide
SMILESCCC(=O)Nc1cc2c(Nc3ccc(NS(=O)(=O)c4ccccc4)nc3)ncnc2cc1OC
InChIInChI=1S/C23H22N6O4S/c1-3-22(30)28-19-11-17-18(12-20(19)33-2)25-14-26-23(17)27-15-9-10-21(24-13-15)29-34(31,32)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,24,29)(H,28,30)(H,25,26,27)
InChIKeyDIYFLUKUTVHJCO-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.93
Rot. Bonds8

About N-[4-[[6-(benzenesulfonamido)-3-pyridinyl]amino]-7-methoxyquinazolin-6-yl]propanamide

N-[4-[[6-(benzenesulfonamido)-3-pyridinyl]amino]-7-methoxyquinazolin-6-yl]propanamide (PubChem CID 134140949) has the molecular formula C23H22N6O4S and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[4-[[6-(benzenesulfonamido)-3-pyridinyl]amino]-7-methoxyquinazolin-6-yl]propanamide.

Molecular Properties

Compound NameN-[4-[[6-(benzenesulfonamido)-3-pyridinyl]amino]-7-methoxyquinazolin-6-yl]propanamide
PubChem CID134140949
Molecular FormulaC23H22N6O4S
Molecular Weight478.53 g/mol
Exact Mass478.14
IUPAC NameN-[4-[[6-(benzenesulfonamido)-3-pyridinyl]amino]-7-methoxyquinazolin-6-yl]propanamide
SMILESCCC(=O)Nc1cc2c(Nc3ccc(NS(=O)(=O)c4ccccc4)nc3)ncnc2cc1OC
InChIInChI=1S/C23H22N6O4S/c1-3-22(30)28-19-11-17-18(12-20(19)33-2)25-14-26-23(17)27-15-9-10-21(24-13-15)29-34(31,32)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,24,29)(H,28,30)(H,25,26,27)
InChIKeyDIYFLUKUTVHJCO-UHFFFAOYSA-N
XLogP3.93
TPSA135.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[[6-(benzenesulfonamido)-3-pyridinyl]amino]-7-methoxyquinazolin-6-yl]propanamide with MolForge

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Related Compounds

N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
Epitinib
CID 59142777
N2-(3-methoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 9902671
N-{7-[3-(4-Methyl-piperazin-1-yl)-propoxy]-4-m-tolylamino-quinazolin-6-yl}-acrylamide
CID 10504176
N-[7-(3-Morpholin-4-yl-propoxy)-4-m-tolylamino-quinazolin-6-yl]-acrylamide
CID 10789593
(2E)-4-(dimethylamino)-N-(4-{[3,6-dioxo-4-(pyridin-2-ylmethoxy)cyclohexa-1,4-dien-1-yl]amino}-7-ethoxyquinazolin-6-yl)but-2-enamide
CID 44428891
N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 52932692
4-(dimethylamino)-N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzenesulfonamide
CID 52932917
N-[7-[(3S)-oxolan-3-yl]oxy-4-[4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]prop-2-enamide
CID 66555254
(E)-4-(dimethylamino)-N-[7-(2-methoxyethoxy)-4-[4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]but-2-enamide
CID 70856585
(E)-N-(7-ethoxy-4-((3-ethynylphenyl)amino)quinazolin-6-yl)-4-(piperidin-1-yl)but-2-enamide
CID 71543353
(E)-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide
CID 71549099

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(benzenesulfonamido)-3-pyridinyl]amino]-7-methoxyquinazolin-6-yl]propanamide?
The IUPAC name of N-[4-[[6-(benzenesulfonamido)-3-pyridinyl]amino]-7-methoxyquinazolin-6-yl]propanamide (CID 134140949) is N-[4-[[6-(benzenesulfonamido)-3-pyridinyl]amino]-7-methoxyquinazolin-6-yl]propanamide.
What is the SMILES notation for N-[4-[[6-(benzenesulfonamido)-3-pyridinyl]amino]-7-methoxyquinazolin-6-yl]propanamide?
The canonical SMILES for N-[4-[[6-(benzenesulfonamido)-3-pyridinyl]amino]-7-methoxyquinazolin-6-yl]propanamide is CCC(=O)Nc1cc2c(Nc3ccc(NS(=O)(=O)c4ccccc4)nc3)ncnc2cc1OC.
What is the InChIKey of N-[4-[[6-(benzenesulfonamido)-3-pyridinyl]amino]-7-methoxyquinazolin-6-yl]propanamide?
The InChIKey is DIYFLUKUTVHJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4S/c1-3-22(30)28-19-11-17-18(12-20(19)33-2)25-14-26-23(17)27-15-9-10-21(24-13-15)29-34(31,32)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,24,29)(H,28,30)(H,25,26,27).
What are the key properties of N-[4-[[6-(benzenesulfonamido)-3-pyridinyl]amino]-7-methoxyquinazolin-6-yl]propanamide?
N-[4-[[6-(benzenesulfonamido)-3-pyridinyl]amino]-7-methoxyquinazolin-6-yl]propanamide has a molecular weight of 478.53 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(benzenesulfonamido)-3-pyridinyl]amino]-7-methoxyquinazolin-6-yl]propanamide is sourced from PubChem (CID 134140949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).