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

C19H13ClN2O3 — CID 121363938

IUPAC(4-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate
SMILESO=C(Nc1ccc2c(c1)OCc1cnccc1-2)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN2O3/c20-13-1-4-15(5-2-13)25-19(23)22-14-3-6-17-16-7-8-21-10-12(16)11-24-18(17)9-14/h1-10H,11H2,(H,22,23)
InChIKeyWFVSUKUBLYVESU-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.91
Rot. Bonds2

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

(4-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate (PubChem CID 121363938) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is (4-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate.

Molecular Properties

Compound Name(4-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate
PubChem CID121363938
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name(4-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate
SMILESO=C(Nc1ccc2c(c1)OCc1cnccc1-2)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN2O3/c20-13-1-4-15(5-2-13)25-19(23)22-14-3-6-17-16-7-8-21-10-12(16)11-24-18(17)9-14/h1-10H,11H2,(H,22,23)
InChIKeyWFVSUKUBLYVESU-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 (4-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate?
The IUPAC name of (4-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate (CID 121363938) is (4-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate.
What is the SMILES notation for (4-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate?
The canonical SMILES for (4-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate is O=C(Nc1ccc2c(c1)OCc1cnccc1-2)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate?
The InChIKey is WFVSUKUBLYVESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-13-1-4-15(5-2-13)25-19(23)22-14-3-6-17-16-7-8-21-10-12(16)11-24-18(17)9-14/h1-10H,11H2,(H,22,23).
What are the key properties of (4-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate?
(4-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 (4-chlorophenyl) N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate is sourced from PubChem (CID 121363938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).