(2-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate

C19H13ClN2O3 — CID 121363956

IUPAC(2-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate
SMILESO=C(Nc1ccc2c(c1)OCc1cnccc1-2)Oc1ccccc1Cl
InChIInChI=1S/C19H13ClN2O3/c20-16-3-1-2-4-17(16)25-19(23)22-13-5-6-15-14-7-8-21-10-12(14)11-24-18(15)9-13/h1-10H,11H2,(H,22,23)
InChIKeyBTRUIOQFDZOSHY-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.91
Rot. Bonds2

About (2-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate

(2-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate (PubChem CID 121363956) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is (2-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate.

Molecular Properties

Compound Name(2-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate
PubChem CID121363956
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name(2-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate
SMILESO=C(Nc1ccc2c(c1)OCc1cnccc1-2)Oc1ccccc1Cl
InChIInChI=1S/C19H13ClN2O3/c20-16-3-1-2-4-17(16)25-19(23)22-13-5-6-15-14-7-8-21-10-12(14)11-24-18(15)9-13/h1-10H,11H2,(H,22,23)
InChIKeyBTRUIOQFDZOSHY-UHFFFAOYSA-N
XLogP4.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate?
The IUPAC name of (2-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate (CID 121363956) is (2-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate.
What is the SMILES notation for (2-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate?
The canonical SMILES for (2-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate is O=C(Nc1ccc2c(c1)OCc1cnccc1-2)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate?
The InChIKey is BTRUIOQFDZOSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-16-3-1-2-4-17(16)25-19(23)22-13-5-6-15-14-7-8-21-10-12(14)11-24-18(15)9-13/h1-10H,11H2,(H,22,23).
What are the key properties of (2-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate?
(2-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate has a molecular weight of 352.78 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate is sourced from PubChem (CID 121363956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).