4-propan-2-yl-3H-pyrido[3,4-h]quinazolin-2-one

C14H13N3O — CID 142239526

IUPAC4-propan-2-yl-3H-pyrido[3,4-h]quinazolin-2-one
SMILESCC(C)c1[nH]c(=O)nc2c1ccc1cnccc12
InChIInChI=1S/C14H13N3O/c1-8(2)12-11-4-3-9-7-15-6-5-10(9)13(11)17-14(18)16-12/h3-8H,1-2H3,(H,16,17,18)
InChIKeyWSUJAKQLZKVRAR-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.59
Rot. Bonds1

About 4-propan-2-yl-3H-pyrido[3,4-h]quinazolin-2-one

4-propan-2-yl-3H-pyrido[3,4-h]quinazolin-2-one (PubChem CID 142239526) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-propan-2-yl-3H-pyrido[3,4-h]quinazolin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-3H-pyrido[3,4-h]quinazolin-2-one
PubChem CID142239526
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-propan-2-yl-3H-pyrido[3,4-h]quinazolin-2-one
SMILESCC(C)c1[nH]c(=O)nc2c1ccc1cnccc12
InChIInChI=1S/C14H13N3O/c1-8(2)12-11-4-3-9-7-15-6-5-10(9)13(11)17-14(18)16-12/h3-8H,1-2H3,(H,16,17,18)
InChIKeyWSUJAKQLZKVRAR-UHFFFAOYSA-N
XLogP2.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 13064691
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[1,2]oxazolo[3,4-f]isoquinoline
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6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
CID 67416123
4-propan-2-yl-2H-2,6-naphthyridin-1-one
CID 159787624
1-(6-fluoroisoquinolin-5-yl)ethanamine
CID 82575682
6-methylisoquinoline-5-carbonyl chloride
CID 125452017
benzo[f]isoquinolin-8-amine
CID 101109295
6-ethyl-5-fluoroisoquinoline
CID 67950448
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
5-(3-chloro-4-methylpentyl)isoquinoline
CID 64506425

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3H-pyrido[3,4-h]quinazolin-2-one?
The IUPAC name of 4-propan-2-yl-3H-pyrido[3,4-h]quinazolin-2-one (CID 142239526) is 4-propan-2-yl-3H-pyrido[3,4-h]quinazolin-2-one.
What is the SMILES notation for 4-propan-2-yl-3H-pyrido[3,4-h]quinazolin-2-one?
The canonical SMILES for 4-propan-2-yl-3H-pyrido[3,4-h]quinazolin-2-one is CC(C)c1[nH]c(=O)nc2c1ccc1cnccc12.
What is the InChIKey of 4-propan-2-yl-3H-pyrido[3,4-h]quinazolin-2-one?
The InChIKey is WSUJAKQLZKVRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-8(2)12-11-4-3-9-7-15-6-5-10(9)13(11)17-14(18)16-12/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 4-propan-2-yl-3H-pyrido[3,4-h]quinazolin-2-one?
4-propan-2-yl-3H-pyrido[3,4-h]quinazolin-2-one has a molecular weight of 239.28 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3H-pyrido[3,4-h]quinazolin-2-one is sourced from PubChem (CID 142239526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).