7-(cyclopropylsulfonylamino)-N-[3-(1-methylpyrrol-3-yl)-4-pyridinyl]quinazoline-2-carboxamide

C22H20N6O3S — CID 175774892

IUPAC7-(cyclopropylsulfonylamino)-N-[3-(1-methylpyrrol-3-yl)-4-pyridinyl]quinazoline-2-carboxamide
SMILESCn1ccc(-c2cnccc2NC(=O)c2ncc3ccc(NS(=O)(=O)C4CC4)cc3n2)c1
InChIInChI=1S/C22H20N6O3S/c1-28-9-7-15(13-28)18-12-23-8-6-19(18)26-22(29)21-24-11-14-2-3-16(10-20(14)25-21)27-32(30,31)17-4-5-17/h2-3,6-13,17,27H,4-5H2,1H3,(H,23,26,29)
InChIKeyBRFGDRCXXFCAKS-UHFFFAOYSA-N
MW448.51 g/mol
LogP3.19
Rot. Bonds6

About 7-(cyclopropylsulfonylamino)-N-[3-(1-methylpyrrol-3-yl)-4-pyridinyl]quinazoline-2-carboxamide

7-(cyclopropylsulfonylamino)-N-[3-(1-methylpyrrol-3-yl)-4-pyridinyl]quinazoline-2-carboxamide (PubChem CID 175774892) has the molecular formula C22H20N6O3S and a molecular weight of 448.51 g/mol. Its IUPAC name is 7-(cyclopropylsulfonylamino)-N-[3-(1-methylpyrrol-3-yl)-4-pyridinyl]quinazoline-2-carboxamide.

Molecular Properties

Compound Name7-(cyclopropylsulfonylamino)-N-[3-(1-methylpyrrol-3-yl)-4-pyridinyl]quinazoline-2-carboxamide
PubChem CID175774892
Molecular FormulaC22H20N6O3S
Molecular Weight448.51 g/mol
Exact Mass448.13
IUPAC Name7-(cyclopropylsulfonylamino)-N-[3-(1-methylpyrrol-3-yl)-4-pyridinyl]quinazoline-2-carboxamide
SMILESCn1ccc(-c2cnccc2NC(=O)c2ncc3ccc(NS(=O)(=O)C4CC4)cc3n2)c1
InChIInChI=1S/C22H20N6O3S/c1-28-9-7-15(13-28)18-12-23-8-6-19(18)26-22(29)21-24-11-14-2-3-16(10-20(14)25-21)27-32(30,31)17-4-5-17/h2-3,6-13,17,27H,4-5H2,1H3,(H,23,26,29)
InChIKeyBRFGDRCXXFCAKS-UHFFFAOYSA-N
XLogP3.19
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(cyclopropylsulfonylamino)-N-[3-(4-methoxyphenyl)-4-pyridinyl]quinazoline-2-carboxamide
CID 175774990
N-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide
CID 118660739
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide
CID 119101374
3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide
CID 146148800
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopropanesulfonamide
CID 122284339
N-(3-acetylphenyl)oxane-4-sulfonamide
CID 62048626
4-[[7-[3-(cyclopropylsulfonylamino)-4-fluorophenyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 153465803
2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide
CID 177175615
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)cyclopropanesulfonamide
CID 122284124
N-(1,2-benzothiazol-5-yl)cyclopropanesulfonamide
CID 91662358
N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 138587014
N-(6-chloro-3-pyridinyl)cyclopropanesulfonamide
CID 103649273

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylsulfonylamino)-N-[3-(1-methylpyrrol-3-yl)-4-pyridinyl]quinazoline-2-carboxamide?
The IUPAC name of 7-(cyclopropylsulfonylamino)-N-[3-(1-methylpyrrol-3-yl)-4-pyridinyl]quinazoline-2-carboxamide (CID 175774892) is 7-(cyclopropylsulfonylamino)-N-[3-(1-methylpyrrol-3-yl)-4-pyridinyl]quinazoline-2-carboxamide.
What is the SMILES notation for 7-(cyclopropylsulfonylamino)-N-[3-(1-methylpyrrol-3-yl)-4-pyridinyl]quinazoline-2-carboxamide?
The canonical SMILES for 7-(cyclopropylsulfonylamino)-N-[3-(1-methylpyrrol-3-yl)-4-pyridinyl]quinazoline-2-carboxamide is Cn1ccc(-c2cnccc2NC(=O)c2ncc3ccc(NS(=O)(=O)C4CC4)cc3n2)c1.
What is the InChIKey of 7-(cyclopropylsulfonylamino)-N-[3-(1-methylpyrrol-3-yl)-4-pyridinyl]quinazoline-2-carboxamide?
The InChIKey is BRFGDRCXXFCAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3S/c1-28-9-7-15(13-28)18-12-23-8-6-19(18)26-22(29)21-24-11-14-2-3-16(10-20(14)25-21)27-32(30,31)17-4-5-17/h2-3,6-13,17,27H,4-5H2,1H3,(H,23,26,29).
What are the key properties of 7-(cyclopropylsulfonylamino)-N-[3-(1-methylpyrrol-3-yl)-4-pyridinyl]quinazoline-2-carboxamide?
7-(cyclopropylsulfonylamino)-N-[3-(1-methylpyrrol-3-yl)-4-pyridinyl]quinazoline-2-carboxamide has a molecular weight of 448.51 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylsulfonylamino)-N-[3-(1-methylpyrrol-3-yl)-4-pyridinyl]quinazoline-2-carboxamide is sourced from PubChem (CID 175774892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).