1H-pyrido[4,3-h]quinazoline-2,4-dione

C11H7N3O2 — CID 142642114

IUPAC1H-pyrido[4,3-h]quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2ccc3ccncc3c2[nH]1
InChIInChI=1S/C11H7N3O2/c15-10-7-2-1-6-3-4-12-5-8(6)9(7)13-11(16)14-10/h1-5H,(H2,13,14,15,16)
InChIKeyLPQHXALRLHIRRX-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.76
Rot. Bonds

About 1H-pyrido[4,3-h]quinazoline-2,4-dione

1H-pyrido[4,3-h]quinazoline-2,4-dione (PubChem CID 142642114) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 1H-pyrido[4,3-h]quinazoline-2,4-dione.

Molecular Properties

Compound Name1H-pyrido[4,3-h]quinazoline-2,4-dione
PubChem CID142642114
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name1H-pyrido[4,3-h]quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2ccc3ccncc3c2[nH]1
InChIInChI=1S/C11H7N3O2/c15-10-7-2-1-6-3-4-12-5-8(6)9(7)13-11(16)14-10/h1-5H,(H2,13,14,15,16)
InChIKeyLPQHXALRLHIRRX-UHFFFAOYSA-N
XLogP0.76
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,9-phenanthroline
CID 23271029
1H-pyrazolo[4,5-h]isoquinoline
CID 70533280
1H-pyrrolo[3,2-h]isoquinoline
CID 22622222
5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione
CID 23448044
12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),9,14,16,18,20-octaene-5,7-dione
CID 154600864
8,44-diazadodecacyclo[24.24.0.02,23.03,20.04,17.05,14.06,11.029,50.032,49.035,48.038,47.041,46]pentaconta-1(26),2(23),3(20),4(17),5(14),6(11),7,9,12,15,18,21,24,27,29(50),30,32(49),33,35(48),36,38(47),39,41(46),42,44-pentacosaene
CID 122389532
1,7-dihydropyrido[3,4-d]pyrimidine-2,4,8-trione
CID 82409795
pyrido[3,4-f]phthalazine
CID 122577314
1,3-dihydroimidazo[4,5-c]pyridin-2-one
CID 11686916
1H-1,8-phenanthrolin-2-one
CID 151551351
7-methyl-6H-pyrido[4,3-c][1]benzazepine-5,11-dione
CID 15096107
7-chloro-1,6-dihydropyrido[2,3-d]pyrimidin-6-ide-2,4-dione;yttrium
CID 156836325

Frequently Asked Questions

What is the IUPAC name of 1H-pyrido[4,3-h]quinazoline-2,4-dione?
The IUPAC name of 1H-pyrido[4,3-h]quinazoline-2,4-dione (CID 142642114) is 1H-pyrido[4,3-h]quinazoline-2,4-dione.
What is the SMILES notation for 1H-pyrido[4,3-h]quinazoline-2,4-dione?
The canonical SMILES for 1H-pyrido[4,3-h]quinazoline-2,4-dione is O=c1[nH]c(=O)c2ccc3ccncc3c2[nH]1.
What is the InChIKey of 1H-pyrido[4,3-h]quinazoline-2,4-dione?
The InChIKey is LPQHXALRLHIRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c15-10-7-2-1-6-3-4-12-5-8(6)9(7)13-11(16)14-10/h1-5H,(H2,13,14,15,16).
What are the key properties of 1H-pyrido[4,3-h]quinazoline-2,4-dione?
1H-pyrido[4,3-h]quinazoline-2,4-dione has a molecular weight of 213.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrido[4,3-h]quinazoline-2,4-dione is sourced from PubChem (CID 142642114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).