11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile

C16H13N3O2 — CID 13052297

IUPAC11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile
SMILESCC(C)Oc1ccc2nc3ccc(C#N)cn3c(=O)c2c1
InChIInChI=1S/C16H13N3O2/c1-10(2)21-12-4-5-14-13(7-12)16(20)19-9-11(8-17)3-6-15(19)18-14/h3-7,9-10H,1-2H3
InChIKeyFDQQXYSGXXLACX-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.51
Rot. Bonds2

About 11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile

11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile (PubChem CID 13052297) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile.

Molecular Properties

Compound Name11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile
PubChem CID13052297
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile
SMILESCC(C)Oc1ccc2nc3ccc(C#N)cn3c(=O)c2c1
InChIInChI=1S/C16H13N3O2/c1-10(2)21-12-4-5-14-13(7-12)16(20)19-9-11(8-17)3-6-15(19)18-14/h3-7,9-10H,1-2H3
InChIKeyFDQQXYSGXXLACX-UHFFFAOYSA-N
XLogP2.51
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one
CID 20525676
2-(diethylamino)ethyl 11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carboxylate;hydrochloride
CID 13052296
sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 173433782
2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 82060342
11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid
CID 12562128
2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 142656814
ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 144970394
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 150974917
2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid
CID 13052288
2-(1-bromoethyl)-3-methyl-4-oxoquinazoline-6-carbonitrile
CID 59993458
2-(chloromethyl)-6-propan-2-yloxy-3H-quinazolin-4-one
CID 156870356
4-chloro-2-methyl-6-propan-2-yloxyquinoline
CID 22693554

Frequently Asked Questions

What is the IUPAC name of 11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile?
The IUPAC name of 11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile (CID 13052297) is 11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile.
What is the SMILES notation for 11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile?
The canonical SMILES for 11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile is CC(C)Oc1ccc2nc3ccc(C#N)cn3c(=O)c2c1.
What is the InChIKey of 11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile?
The InChIKey is FDQQXYSGXXLACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10(2)21-12-4-5-14-13(7-12)16(20)19-9-11(8-17)3-6-15(19)18-14/h3-7,9-10H,1-2H3.
What are the key properties of 11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile?
11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile is sourced from PubChem (CID 13052297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).