3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one

C19H20N4O2 — CID 121193436

IUPAC3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one
SMILESCn1cccc1C(=O)N1CCCC(n2cnc3ccccc3c2=O)C1
InChIInChI=1S/C19H20N4O2/c1-21-10-5-9-17(21)19(25)22-11-4-6-14(12-22)23-13-20-16-8-3-2-7-15(16)18(23)24/h2-3,5,7-10,13-14H,4,6,11-12H2,1H3
InChIKeyAMGDISGKMCOLKJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.21
Rot. Bonds2

About 3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one

3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one (PubChem CID 121193436) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one
PubChem CID121193436
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one
SMILESCn1cccc1C(=O)N1CCCC(n2cnc3ccccc3c2=O)C1
InChIInChI=1S/C19H20N4O2/c1-21-10-5-9-17(21)19(25)22-11-4-6-14(12-22)23-13-20-16-8-3-2-7-15(16)18(23)24/h2-3,5,7-10,13-14H,4,6,11-12H2,1H3
InChIKeyAMGDISGKMCOLKJ-UHFFFAOYSA-N
XLogP2.21
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one
CID 121021700
3-cyclobutylquinazolin-4-one
CID 171781936
N-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 121193506
3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one
CID 167990048
cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate
CID 154847151
1-(1-methylpyrrole-2-carbonyl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 126799508
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide
CID 46344313
2-[[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813515
3-[2-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 96574064
3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one
CID 138009536
6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one
CID 146947457

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one?
The IUPAC name of 3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one (CID 121193436) is 3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one.
What is the SMILES notation for 3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one?
The canonical SMILES for 3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one is Cn1cccc1C(=O)N1CCCC(n2cnc3ccccc3c2=O)C1.
What is the InChIKey of 3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one?
The InChIKey is AMGDISGKMCOLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-21-10-5-9-17(21)19(25)22-11-4-6-14(12-22)23-13-20-16-8-3-2-7-15(16)18(23)24/h2-3,5,7-10,13-14H,4,6,11-12H2,1H3.
What are the key properties of 3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one?
3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one has a molecular weight of 336.39 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one is sourced from PubChem (CID 121193436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).