4-butan-2-yloxyquinazoline

C12H14N2O — CID 121007235

IUPAC4-butan-2-yloxyquinazoline
SMILESCCC(C)Oc1ncnc2ccccc12
InChIInChI=1S/C12H14N2O/c1-3-9(2)15-12-10-6-4-5-7-11(10)13-8-14-12/h4-9H,3H2,1-2H3
InChIKeyNDLXDPPCCICMQJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.81
Rot. Bonds3

About 4-butan-2-yloxyquinazoline

4-butan-2-yloxyquinazoline (PubChem CID 121007235) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-butan-2-yloxyquinazoline.

Molecular Properties

Compound Name4-butan-2-yloxyquinazoline
PubChem CID121007235
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-butan-2-yloxyquinazoline
SMILESCCC(C)Oc1ncnc2ccccc12
InChIInChI=1S/C12H14N2O/c1-3-9(2)15-12-10-6-4-5-7-11(10)13-8-14-12/h4-9H,3H2,1-2H3
InChIKeyNDLXDPPCCICMQJ-UHFFFAOYSA-N
XLogP2.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-quinazolin-4-yloxybutanoic acid
CID 59286375
4-ethoxyquinazoline
CID 589708
quinazolin-4-yl hypofluorite
CID 143671515
4-(2-chlorophenoxy)quinazoline
CID 31538122
N-ethyl-2-quinazolin-4-yloxyethanamine
CID 62347961
3-butan-2-yloxyquinoline-4-carboxylic acid
CID 79594936
N-(2-quinazolin-4-ylsulfanylethyl)propan-2-amine
CID 61386125
4-[(2-methylphenyl)methoxy]quinazoline
CID 112787376
N-(1-methoxybutan-2-yl)quinazolin-4-amine
CID 20545321
(2S)-N-(2-fluorophenyl)-2-quinazolin-4-yloxypropanamide
CID 2472021
4-ethenoxyquinazoline
CID 90642939
4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide
CID 54944051

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxyquinazoline?
The IUPAC name of 4-butan-2-yloxyquinazoline (CID 121007235) is 4-butan-2-yloxyquinazoline.
What is the SMILES notation for 4-butan-2-yloxyquinazoline?
The canonical SMILES for 4-butan-2-yloxyquinazoline is CCC(C)Oc1ncnc2ccccc12.
What is the InChIKey of 4-butan-2-yloxyquinazoline?
The InChIKey is NDLXDPPCCICMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-9(2)15-12-10-6-4-5-7-11(10)13-8-14-12/h4-9H,3H2,1-2H3.
What are the key properties of 4-butan-2-yloxyquinazoline?
4-butan-2-yloxyquinazoline has a molecular weight of 202.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxyquinazoline is sourced from PubChem (CID 121007235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).