(3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone

C16H15ClN2O3 — CID 129370455

IUPAC(3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
SMILESCOc1ccc2c(c1)N(C(=O)c1ccncc1Cl)C[C@@H](C)O2
InChIInChI=1S/C16H15ClN2O3/c1-10-9-19(16(20)12-5-6-18-8-13(12)17)14-7-11(21-2)3-4-15(14)22-10/h3-8,10H,9H2,1-2H3/t10-/m1/s1
InChIKeyKDNHFUPFAXKXRK-SNVBAGLBSA-N
MW318.76 g/mol
LogP3.17
Rot. Bonds2

About (3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone

(3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone (PubChem CID 129370455) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
PubChem CID129370455
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name(3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
SMILESCOc1ccc2c(c1)N(C(=O)c1ccncc1Cl)C[C@@H](C)O2
InChIInChI=1S/C16H15ClN2O3/c1-10-9-19(16(20)12-5-6-18-8-13(12)17)14-7-11(21-2)3-4-15(14)22-10/h3-8,10H,9H2,1-2H3/t10-/m1/s1
InChIKeyKDNHFUPFAXKXRK-SNVBAGLBSA-N
XLogP3.17
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 99816982
[1-(3-chlorophenyl)triazol-4-yl]-[(2S)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 99823947
[(2S)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 99816977
N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
CID 138997436
(4-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 124607162
1-[4-[(2S)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropane-1-carbonitrile
CID 124615412
(3-chloro-4-pyridinyl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129350039
3-chloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 66462058
6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521456
(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone
CID 110662984
(3-chloro-4-pyridinyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 66484542
3-[(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzamide
CID 71869566

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone (CID 129370455) is (3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone is COc1ccc2c(c1)N(C(=O)c1ccncc1Cl)C[C@@H](C)O2.
What is the InChIKey of (3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?
The InChIKey is KDNHFUPFAXKXRK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-10-9-19(16(20)12-5-6-18-8-13(12)17)14-7-11(21-2)3-4-15(14)22-10/h3-8,10H,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?
(3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone has a molecular weight of 318.76 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone is sourced from PubChem (CID 129370455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).