2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one

C15H17N5O2 — CID 135958434

IUPAC2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(-c3c(N)n[nH]c3CCCO)[nH]c(=O)c2c1
InChIInChI=1S/C15H17N5O2/c1-8-4-5-10-9(7-8)15(22)18-14(17-10)12-11(3-2-6-21)19-20-13(12)16/h4-5,7,21H,2-3,6H2,1H3,(H3,16,19,20)(H,17,18,22)
InChIKeyAMUQIIIMEFGXKH-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.13
Rot. Bonds4

About 2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one

2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one (PubChem CID 135958434) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one
PubChem CID135958434
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(-c3c(N)n[nH]c3CCCO)[nH]c(=O)c2c1
InChIInChI=1S/C15H17N5O2/c1-8-4-5-10-9(7-8)15(22)18-14(17-10)12-11(3-2-6-21)19-20-13(12)16/h4-5,7,21H,2-3,6H2,1H3,(H3,16,19,20)(H,17,18,22)
InChIKeyAMUQIIIMEFGXKH-UHFFFAOYSA-N
XLogP1.13
TPSA120.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one
CID 136925362
2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one
CID 136703862
2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one
CID 136925358
3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol
CID 105498483
2-(chloromethyl)-6-methyl-3H-quinazolin-4-one
CID 135715019
2-[6-(difluoromethoxy)-2-pyridinyl]-6-methyl-3H-quinazolin-4-one
CID 154850422
(6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 135411171
2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one
CID 136560986
3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol
CID 170857441
N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide
CID 142133755
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643
actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one
CID 135999600

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one (CID 135958434) is 2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one is Cc1ccc2nc(-c3c(N)n[nH]c3CCCO)[nH]c(=O)c2c1.
What is the InChIKey of 2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one?
The InChIKey is AMUQIIIMEFGXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-8-4-5-10-9(7-8)15(22)18-14(17-10)12-11(3-2-6-21)19-20-13(12)16/h4-5,7,21H,2-3,6H2,1H3,(H3,16,19,20)(H,17,18,22).
What are the key properties of 2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one?
2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one has a molecular weight of 299.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135958434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).