8-chloro-2-morpholin-4-ylquinoline-4-carboxamide

C14H14ClN3O2 — CID 53016673

IUPAC8-chloro-2-morpholin-4-ylquinoline-4-carboxamide
SMILESNC(=O)c1cc(N2CCOCC2)nc2c(Cl)cccc12
InChIInChI=1S/C14H14ClN3O2/c15-11-3-1-2-9-10(14(16)19)8-12(17-13(9)11)18-4-6-20-7-5-18/h1-3,8H,4-7H2,(H2,16,19)
InChIKeyAPXRPVLATPQYCY-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.82
Rot. Bonds2

About 8-chloro-2-morpholin-4-ylquinoline-4-carboxamide

8-chloro-2-morpholin-4-ylquinoline-4-carboxamide (PubChem CID 53016673) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 8-chloro-2-morpholin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-2-morpholin-4-ylquinoline-4-carboxamide
PubChem CID53016673
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name8-chloro-2-morpholin-4-ylquinoline-4-carboxamide
SMILESNC(=O)c1cc(N2CCOCC2)nc2c(Cl)cccc12
InChIInChI=1S/C14H14ClN3O2/c15-11-3-1-2-9-10(14(16)19)8-12(17-13(9)11)18-4-6-20-7-5-18/h1-3,8H,4-7H2,(H2,16,19)
InChIKeyAPXRPVLATPQYCY-UHFFFAOYSA-N
XLogP1.82
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-morpholin-4-ylquinoline-4-carboxamide?
The IUPAC name of 8-chloro-2-morpholin-4-ylquinoline-4-carboxamide (CID 53016673) is 8-chloro-2-morpholin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-2-morpholin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 8-chloro-2-morpholin-4-ylquinoline-4-carboxamide is NC(=O)c1cc(N2CCOCC2)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-morpholin-4-ylquinoline-4-carboxamide?
The InChIKey is APXRPVLATPQYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-11-3-1-2-9-10(14(16)19)8-12(17-13(9)11)18-4-6-20-7-5-18/h1-3,8H,4-7H2,(H2,16,19).
What are the key properties of 8-chloro-2-morpholin-4-ylquinoline-4-carboxamide?
8-chloro-2-morpholin-4-ylquinoline-4-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-morpholin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 53016673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).