4-chloro-8-propan-2-yloxy-3H-quinazolin-2-one

C11H11ClN2O2 — CID 169038489

IUPAC4-chloro-8-propan-2-yloxy-3H-quinazolin-2-one
SMILESCC(C)Oc1cccc2c(Cl)[nH]c(=O)nc12
InChIInChI=1S/C11H11ClN2O2/c1-6(2)16-8-5-3-4-7-9(8)13-11(15)14-10(7)12/h3-6H,1-2H3,(H,13,14,15)
InChIKeyARDVBVVBEMPOQJ-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.36
Rot. Bonds2

About 4-chloro-8-propan-2-yloxy-3H-quinazolin-2-one

4-chloro-8-propan-2-yloxy-3H-quinazolin-2-one (PubChem CID 169038489) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 4-chloro-8-propan-2-yloxy-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-chloro-8-propan-2-yloxy-3H-quinazolin-2-one
PubChem CID169038489
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name4-chloro-8-propan-2-yloxy-3H-quinazolin-2-one
SMILESCC(C)Oc1cccc2c(Cl)[nH]c(=O)nc12
InChIInChI=1S/C11H11ClN2O2/c1-6(2)16-8-5-3-4-7-9(8)13-11(15)14-10(7)12/h3-6H,1-2H3,(H,13,14,15)
InChIKeyARDVBVVBEMPOQJ-UHFFFAOYSA-N
XLogP2.36
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-8-methyl-3H-quinazolin-2-one
CID 84773265
2,4-dichloro-8-propan-2-yloxyquinoline
CID 82581120
1-(4-methyl-8-propan-2-yloxyquinolin-2-yl)ethanol
CID 82575997
N,N,3-trimethyl-2-(methylaminomethyl)-8-propan-2-yloxyquinolin-4-amine
CID 82250160
2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide
CID 82574267
4-(1-aminocyclopropyl)-8-methoxy-3H-quinazolin-2-one
CID 105489297
methyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate
CID 82575130
1-chloro-2-propan-2-yloxybenzene;ethane
CID 143368114
2-chloro-5-propan-2-yloxy-1H-pyrimidin-6-one
CID 172586786
2-chloro-3-propan-2-yloxyaniline
CID 67383327
2-methoxy-6-(4-methyl-8-propan-2-yloxyquinolin-2-yl)phenol
CID 169410777
8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one
CID 105475454

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-propan-2-yloxy-3H-quinazolin-2-one?
The IUPAC name of 4-chloro-8-propan-2-yloxy-3H-quinazolin-2-one (CID 169038489) is 4-chloro-8-propan-2-yloxy-3H-quinazolin-2-one.
What is the SMILES notation for 4-chloro-8-propan-2-yloxy-3H-quinazolin-2-one?
The canonical SMILES for 4-chloro-8-propan-2-yloxy-3H-quinazolin-2-one is CC(C)Oc1cccc2c(Cl)[nH]c(=O)nc12.
What is the InChIKey of 4-chloro-8-propan-2-yloxy-3H-quinazolin-2-one?
The InChIKey is ARDVBVVBEMPOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-6(2)16-8-5-3-4-7-9(8)13-11(15)14-10(7)12/h3-6H,1-2H3,(H,13,14,15).
What are the key properties of 4-chloro-8-propan-2-yloxy-3H-quinazolin-2-one?
4-chloro-8-propan-2-yloxy-3H-quinazolin-2-one has a molecular weight of 238.67 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-propan-2-yloxy-3H-quinazolin-2-one is sourced from PubChem (CID 169038489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).