6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide

C19H17ClN4O2 — CID 1261356

IUPAC6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NN1CCOCC1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H17ClN4O2/c20-14-3-4-17-15(10-14)16(19(25)23-24-6-8-26-9-7-24)11-18(22-17)13-2-1-5-21-12-13/h1-5,10-12H,6-9H2,(H,23,25)
InChIKeyXGWDQQKXGCBEMT-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.93
Rot. Bonds3

About 6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide

6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 1261356) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID1261356
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NN1CCOCC1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H17ClN4O2/c20-14-3-4-17-15(10-14)16(19(25)23-24-6-8-26-9-7-24)11-18(22-17)13-2-1-5-21-12-13/h1-5,10-12H,6-9H2,(H,23,25)
InChIKeyXGWDQQKXGCBEMT-UHFFFAOYSA-N
XLogP2.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide (CID 1261356) is 6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide is O=C(NN1CCOCC1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is XGWDQQKXGCBEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-14-3-4-17-15(10-14)16(19(25)23-24-6-8-26-9-7-24)11-18(22-17)13-2-1-5-21-12-13/h1-5,10-12H,6-9H2,(H,23,25).
What are the key properties of 6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide?
6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).