N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide

C19H22N6O3S — CID 138587014

IUPACN-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCn1cncc1-c1ccc2cnc(NC(=O)C3CCN(S(C)(=O)=O)CC3)nc2c1
InChIInChI=1S/C19H22N6O3S/c1-24-12-20-11-17(24)14-3-4-15-10-21-19(22-16(15)9-14)23-18(26)13-5-7-25(8-6-13)29(2,27)28/h3-4,9-13H,5-8H2,1-2H3,(H,21,22,23,26)
InChIKeyKIBCPAOGADGUJJ-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.64
Rot. Bonds4

About N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide

N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 138587014) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID138587014
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC NameN-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCn1cncc1-c1ccc2cnc(NC(=O)C3CCN(S(C)(=O)=O)CC3)nc2c1
InChIInChI=1S/C19H22N6O3S/c1-24-12-20-11-17(24)14-3-4-15-10-21-19(22-16(15)9-14)23-18(26)13-5-7-25(8-6-13)29(2,27)28/h3-4,9-13H,5-8H2,1-2H3,(H,21,22,23,26)
InChIKeyKIBCPAOGADGUJJ-UHFFFAOYSA-N
XLogP1.64
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide
CID 138587041
N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide
CID 138588338
2-[4-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]acetic acid
CID 166687835
2-[4-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]propanoic acid
CID 166687824
1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide
CID 138586722
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 138590403
1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone
CID 149124301
1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide
CID 138587588
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 162233590
7-(2-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine
CID 171682813
N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide
CID 138588417
(3R)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]piperidine-3-carboxamide
CID 138587848

Frequently Asked Questions

What is the IUPAC name of N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 138587014) is N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide is Cn1cncc1-c1ccc2cnc(NC(=O)C3CCN(S(C)(=O)=O)CC3)nc2c1.
What is the InChIKey of N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is KIBCPAOGADGUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-24-12-20-11-17(24)14-3-4-15-10-21-19(22-16(15)9-14)23-18(26)13-5-7-25(8-6-13)29(2,27)28/h3-4,9-13H,5-8H2,1-2H3,(H,21,22,23,26).
What are the key properties of N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 138587014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).