6-chloro-3-[[cyclopropylmethyl(propyl)amino]methyl]chromen-4-one

C17H20ClNO2 — CID 3819645

IUPAC6-chloro-3-[[cyclopropylmethyl(propyl)amino]methyl]chromen-4-one
SMILESCCCN(Cc1coc2ccc(Cl)cc2c1=O)CC1CC1
InChIInChI=1S/C17H20ClNO2/c1-2-7-19(9-12-3-4-12)10-13-11-21-16-6-5-14(18)8-15(16)17(13)20/h5-6,8,11-12H,2-4,7,9-10H2,1H3
InChIKeySTWHYLRGCBFYTJ-UHFFFAOYSA-N
MW305.80 g/mol
LogP4.07
Rot. Bonds6

About 6-chloro-3-[[cyclopropylmethyl(propyl)amino]methyl]chromen-4-one

6-chloro-3-[[cyclopropylmethyl(propyl)amino]methyl]chromen-4-one (PubChem CID 3819645) has the molecular formula C17H20ClNO2 and a molecular weight of 305.80 g/mol. Its IUPAC name is 6-chloro-3-[[cyclopropylmethyl(propyl)amino]methyl]chromen-4-one.

Molecular Properties

Compound Name6-chloro-3-[[cyclopropylmethyl(propyl)amino]methyl]chromen-4-one
PubChem CID3819645
Molecular FormulaC17H20ClNO2
Molecular Weight305.80 g/mol
Exact Mass305.12
IUPAC Name6-chloro-3-[[cyclopropylmethyl(propyl)amino]methyl]chromen-4-one
SMILESCCCN(Cc1coc2ccc(Cl)cc2c1=O)CC1CC1
InChIInChI=1S/C17H20ClNO2/c1-2-7-19(9-12-3-4-12)10-13-11-21-16-6-5-14(18)8-15(16)17(13)20/h5-6,8,11-12H,2-4,7,9-10H2,1H3
InChIKeySTWHYLRGCBFYTJ-UHFFFAOYSA-N
XLogP4.07
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[cyclopropylmethyl(propyl)amino]methyl]chromen-4-one?
The IUPAC name of 6-chloro-3-[[cyclopropylmethyl(propyl)amino]methyl]chromen-4-one (CID 3819645) is 6-chloro-3-[[cyclopropylmethyl(propyl)amino]methyl]chromen-4-one.
What is the SMILES notation for 6-chloro-3-[[cyclopropylmethyl(propyl)amino]methyl]chromen-4-one?
The canonical SMILES for 6-chloro-3-[[cyclopropylmethyl(propyl)amino]methyl]chromen-4-one is CCCN(Cc1coc2ccc(Cl)cc2c1=O)CC1CC1.
What is the InChIKey of 6-chloro-3-[[cyclopropylmethyl(propyl)amino]methyl]chromen-4-one?
The InChIKey is STWHYLRGCBFYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-2-7-19(9-12-3-4-12)10-13-11-21-16-6-5-14(18)8-15(16)17(13)20/h5-6,8,11-12H,2-4,7,9-10H2,1H3.
What are the key properties of 6-chloro-3-[[cyclopropylmethyl(propyl)amino]methyl]chromen-4-one?
6-chloro-3-[[cyclopropylmethyl(propyl)amino]methyl]chromen-4-one has a molecular weight of 305.80 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[cyclopropylmethyl(propyl)amino]methyl]chromen-4-one is sourced from PubChem (CID 3819645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).