6-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-4-methoxypyridine-3-carbonitrile

C18H15ClN4O3 — CID 130456105

IUPAC6-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-4-methoxypyridine-3-carbonitrile
SMILESCOc1cc2[nH]c(=O)c(CNc3cc(OC)c(C#N)cn3)cc2cc1Cl
InChIInChI=1S/C18H15ClN4O3/c1-25-15-6-17(22-9-12(15)7-20)21-8-11-3-10-4-13(19)16(26-2)5-14(10)23-18(11)24/h3-6,9H,8H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyULODSEJKPFDPHU-UHFFFAOYSA-N
MW370.80 g/mol
LogP3.08
Rot. Bonds5

About 6-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-4-methoxypyridine-3-carbonitrile

6-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-4-methoxypyridine-3-carbonitrile (PubChem CID 130456105) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is 6-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-4-methoxypyridine-3-carbonitrile
PubChem CID130456105
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC Name6-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-4-methoxypyridine-3-carbonitrile
SMILESCOc1cc2[nH]c(=O)c(CNc3cc(OC)c(C#N)cn3)cc2cc1Cl
InChIInChI=1S/C18H15ClN4O3/c1-25-15-6-17(22-9-12(15)7-20)21-8-11-3-10-4-13(19)16(26-2)5-14(10)23-18(11)24/h3-6,9H,8H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyULODSEJKPFDPHU-UHFFFAOYSA-N
XLogP3.08
TPSA100.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 6-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-4-methoxypyridine-3-carbonitrile (CID 130456105) is 6-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 6-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-4-methoxypyridine-3-carbonitrile is COc1cc2[nH]c(=O)c(CNc3cc(OC)c(C#N)cn3)cc2cc1Cl.
What is the InChIKey of 6-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-4-methoxypyridine-3-carbonitrile?
The InChIKey is ULODSEJKPFDPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c1-25-15-6-17(22-9-12(15)7-20)21-8-11-3-10-4-13(19)16(26-2)5-14(10)23-18(11)24/h3-6,9H,8H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 6-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-4-methoxypyridine-3-carbonitrile?
6-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-4-methoxypyridine-3-carbonitrile has a molecular weight of 370.80 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 130456105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).