2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one

C17H19N5O — CID 137269952

IUPAC2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
SMILESCn1cc(CC2CCN(c3nc4ccccc4c(=O)[nH]3)C2)cn1
InChIInChI=1S/C17H19N5O/c1-21-10-13(9-18-21)8-12-6-7-22(11-12)17-19-15-5-3-2-4-14(15)16(23)20-17/h2-5,9-10,12H,6-8,11H2,1H3,(H,19,20,23)
InChIKeyQYLGJGGSWSTIAX-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.73
Rot. Bonds3

About 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one

2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one (PubChem CID 137269952) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
PubChem CID137269952
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
SMILESCn1cc(CC2CCN(c3nc4ccccc4c(=O)[nH]3)C2)cn1
InChIInChI=1S/C17H19N5O/c1-21-10-13(9-18-21)8-12-6-7-22(11-12)17-19-15-5-3-2-4-14(15)16(23)20-17/h2-5,9-10,12H,6-8,11H2,1H3,(H,19,20,23)
InChIKeyQYLGJGGSWSTIAX-UHFFFAOYSA-N
XLogP1.73
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 136706838
2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716
2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one
CID 137257515
2-(3-methylsulfanylazepan-1-yl)-3H-quinazolin-4-one
CID 137258116
5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole
CID 133341877
2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 136923010
2-[(1R)-1-(4-benzylpiperidin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135612926
tert-butyl N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-3-yl]methyl]carbamate
CID 137268454
N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide
CID 137264290
4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 133342054
2-[4-[4-[3-(methoxymethyl)pyrrolidin-1-yl]benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138554206
8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline
CID 133368525

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one (CID 137269952) is 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one is Cn1cc(CC2CCN(c3nc4ccccc4c(=O)[nH]3)C2)cn1.
What is the InChIKey of 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one?
The InChIKey is QYLGJGGSWSTIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21-10-13(9-18-21)8-12-6-7-22(11-12)17-19-15-5-3-2-4-14(15)16(23)20-17/h2-5,9-10,12H,6-8,11H2,1H3,(H,19,20,23).
What are the key properties of 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one?
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one has a molecular weight of 309.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 137269952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).