8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one

C16H16N2O3 — CID 20525676

IUPAC8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one
SMILESCC(C)Oc1ccc2nc3ccc(CO)cn3c(=O)c2c1
InChIInChI=1S/C16H16N2O3/c1-10(2)21-12-4-5-14-13(7-12)16(20)18-8-11(9-19)3-6-15(18)17-14/h3-8,10,19H,9H2,1-2H3
InChIKeyGYHWPHABJUOVCU-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.13
Rot. Bonds3

About 8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one

8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one (PubChem CID 20525676) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one
PubChem CID20525676
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one
SMILESCC(C)Oc1ccc2nc3ccc(CO)cn3c(=O)c2c1
InChIInChI=1S/C16H16N2O3/c1-10(2)21-12-4-5-14-13(7-12)16(20)18-8-11(9-19)3-6-15(18)17-14/h3-8,10,19H,9H2,1-2H3
InChIKeyGYHWPHABJUOVCU-UHFFFAOYSA-N
XLogP2.13
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile
CID 13052297
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
8-methoxy-2-methylpyrido[2,1-b]quinazolin-11-one
CID 151157986
11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid
CID 12562128
[2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 82356958
2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid
CID 13052288
2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid
CID 84638076
N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
CID 13222150
2-methyl-7-propan-2-yloxyisoquinolin-1-one
CID 141403159
2-(chloromethyl)-6-propan-2-yloxy-3H-quinazolin-4-one
CID 156870356
[2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 82064349

Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one (CID 20525676) is 8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one is CC(C)Oc1ccc2nc3ccc(CO)cn3c(=O)c2c1.
What is the InChIKey of 8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one?
The InChIKey is GYHWPHABJUOVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10(2)21-12-4-5-14-13(7-12)16(20)18-8-11(9-19)3-6-15(18)17-14/h3-8,10,19H,9H2,1-2H3.
What are the key properties of 8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one?
8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one has a molecular weight of 284.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 20525676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).