2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine

C17H14N2O — CID 43818980

IUPAC2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine
SMILESc1ccc2c(c1)COC(c1ccnc3ccccc13)N2
InChIInChI=1S/C17H14N2O/c1-3-7-15-12(5-1)11-20-17(19-15)14-9-10-18-16-8-4-2-6-13(14)16/h1-10,17,19H,11H2
InChIKeyPULAZGOMJZYJQP-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.88
Rot. Bonds1

About 2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine

2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine (PubChem CID 43818980) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine.

Molecular Properties

Compound Name2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine
PubChem CID43818980
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine
SMILESc1ccc2c(c1)COC(c1ccnc3ccccc13)N2
InChIInChI=1S/C17H14N2O/c1-3-7-15-12(5-1)11-20-17(19-15)14-9-10-18-16-8-4-2-6-13(14)16/h1-10,17,19H,11H2
InChIKeyPULAZGOMJZYJQP-UHFFFAOYSA-N
XLogP3.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-quinolin-4-ylazetidin-2-one
CID 55255536
2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine
CID 14893331
4-cyclopentylquinoline
CID 57273226
4-(3,3-difluorooxan-4-yl)quinoline
CID 154031569
2,4-dihydro-1H-3,1-benzoxazin-2-ol
CID 90839695
4-(azepan-2-yl)quinoline
CID 81147055
3-methylidene-5-quinolin-4-yloxolan-2-one
CID 127052681
4-(2-ethylpyrrolidin-3-yl)quinoline
CID 63868928
3-quinolin-4-yloxirane-2-carboxamide
CID 23186110
5-(2,3-dihydro-1H-isoindol-1-yl)quinoline
CID 81224318
2-(quinolin-4-ylmethyl)morpholine
CID 116985426
2-naphthalen-1-yl-1,2-dihydropyrido[3,2-d][1,3]oxazin-4-one
CID 121005519

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine?
The IUPAC name of 2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine (CID 43818980) is 2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine.
What is the SMILES notation for 2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine?
The canonical SMILES for 2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine is c1ccc2c(c1)COC(c1ccnc3ccccc13)N2.
What is the InChIKey of 2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine?
The InChIKey is PULAZGOMJZYJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-3-7-15-12(5-1)11-20-17(19-15)14-9-10-18-16-8-4-2-6-13(14)16/h1-10,17,19H,11H2.
What are the key properties of 2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine?
2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine has a molecular weight of 262.31 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine is sourced from PubChem (CID 43818980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).