(3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone

C19H24N4O — CID 110437049

IUPAC(3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone
SMILESCC1CCCN(C(=O)C2CCCN2c2ncnc3ccccc23)C1
InChIInChI=1S/C19H24N4O/c1-14-6-4-10-22(12-14)19(24)17-9-5-11-23(17)18-15-7-2-3-8-16(15)20-13-21-18/h2-3,7-8,13-14,17H,4-6,9-12H2,1H3
InChIKeyGAQQUCMDXNSOSN-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.86
Rot. Bonds2

About (3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone

(3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone (PubChem CID 110437049) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone
PubChem CID110437049
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone
SMILESCC1CCCN(C(=O)C2CCCN2c2ncnc3ccccc23)C1
InChIInChI=1S/C19H24N4O/c1-14-6-4-10-22(12-14)19(24)17-9-5-11-23(17)18-15-7-2-3-8-16(15)20-13-21-18/h2-3,7-8,13-14,17H,4-6,9-12H2,1H3
InChIKeyGAQQUCMDXNSOSN-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 110436322
N-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 167772955
N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 42884115
[(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 55937172
N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 42930849
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 111694957
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 71911502
[(3R)-3-aminopyrrolidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 119412925
(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 94184844
4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride
CID 20982587
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone (CID 110437049) is (3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone is CC1CCCN(C(=O)C2CCCN2c2ncnc3ccccc23)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone?
The InChIKey is GAQQUCMDXNSOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-6-4-10-22(12-14)19(24)17-9-5-11-23(17)18-15-7-2-3-8-16(15)20-13-21-18/h2-3,7-8,13-14,17H,4-6,9-12H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone?
(3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 110437049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).