3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride

C13H15Cl2NO3 — CID 170892270

IUPAC3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride
SMILESCc1cc2occ(CC(N)CO)c(=O)c2cc1Cl.Cl
InChIInChI=1S/C13H14ClNO3.ClH/c1-7-2-12-10(4-11(7)14)13(17)8(6-18-12)3-9(15)5-16;/h2,4,6,9,16H,3,5,15H2,1H3;1H
InChIKeyLOIFTNXWDKUIPW-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.04
Rot. Bonds3

About 3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride

3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride (PubChem CID 170892270) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride.

Molecular Properties

Compound Name3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride
PubChem CID170892270
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride
SMILESCc1cc2occ(CC(N)CO)c(=O)c2cc1Cl.Cl
InChIInChI=1S/C13H14ClNO3.ClH/c1-7-2-12-10(4-11(7)14)13(17)8(6-18-12)3-9(15)5-16;/h2,4,6,9,16H,3,5,15H2,1H3;1H
InChIKeyLOIFTNXWDKUIPW-UHFFFAOYSA-N
XLogP2.04
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide
CID 2986395
3-(2-aminobutyl)-6-fluorochromen-4-one
CID 170889079
N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
CID 7393915
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone
CID 137339572
2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine
CID 54192738
ethyl N-(6-chloro-7-methyl-4-oxochromen-3-yl)-N-(ethoxycarbonylamino)carbamate
CID 102346258
2-amino-6-[(6-chloro-7-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862737
(2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride
CID 131885660
N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
CID 2990500
N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 18872065
3-(6-methyl-4-oxochromen-3-yl)propanoic acid
CID 16643139
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride?
The IUPAC name of 3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride (CID 170892270) is 3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride.
What is the SMILES notation for 3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride?
The canonical SMILES for 3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride is Cc1cc2occ(CC(N)CO)c(=O)c2cc1Cl.Cl.
What is the InChIKey of 3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride?
The InChIKey is LOIFTNXWDKUIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3.ClH/c1-7-2-12-10(4-11(7)14)13(17)8(6-18-12)3-9(15)5-16;/h2,4,6,9,16H,3,5,15H2,1H3;1H.
What are the key properties of 3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride?
3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride has a molecular weight of 304.17 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride is sourced from PubChem (CID 170892270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).