2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile

C23H19ClN6O2 — CID 146222029

IUPAC2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile
SMILESCc1nc(NC(C)c2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ncc1C#N
InChIInChI=1S/C23H19ClN6O2/c1-13-16(10-25)11-27-23(28-13)29-14(2)18-7-15-8-19(24)21(9-20(15)30-22(18)31)32-12-17-5-3-4-6-26-17/h3-9,11,14H,12H2,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyZZHWAZPQCJQQTG-UHFFFAOYSA-N
MW446.90 g/mol
LogP4.30
Rot. Bonds6

About 2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile

2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile (PubChem CID 146222029) has the molecular formula C23H19ClN6O2 and a molecular weight of 446.90 g/mol. Its IUPAC name is 2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile
PubChem CID146222029
Molecular FormulaC23H19ClN6O2
Molecular Weight446.90 g/mol
Exact Mass446.13
IUPAC Name2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile
SMILESCc1nc(NC(C)c2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ncc1C#N
InChIInChI=1S/C23H19ClN6O2/c1-13-16(10-25)11-27-23(28-13)29-14(2)18-7-15-8-19(24)21(9-20(15)30-22(18)31)32-12-17-5-3-4-6-26-17/h3-9,11,14H,12H2,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyZZHWAZPQCJQQTG-UHFFFAOYSA-N
XLogP4.30
TPSA116.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.90
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile with MolForge

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Related Compounds

6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 118953713
6-chloro-3-[(1S)-1-[[5-(5-methyltetrazol-1-yl)-1,3-thiazol-2-yl]amino]ethyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 122637371
6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 135378370
N-[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]-2,2,2-trifluoroacetamide
CID 118965796
6-chloro-3-[(1S)-1-[3-(4-methylthiophen-3-yl)anilino]ethyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 118955631
6-chloro-7-(pyridin-2-ylmethoxy)-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one
CID 122637462
3-[(1S)-1-aminoethyl]-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
CID 175818903
3-[2-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one
CID 118956059
3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 129034649
5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole
CID 171731967
2-[1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethylamino]-4-methoxypyrimidine-5-carbonitrile
CID 118953970
6-chloro-7-methoxy-3-[(1S)-1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 118953545

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile?
The IUPAC name of 2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile (CID 146222029) is 2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile is Cc1nc(NC(C)c2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ncc1C#N.
What is the InChIKey of 2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile?
The InChIKey is ZZHWAZPQCJQQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O2/c1-13-16(10-25)11-27-23(28-13)29-14(2)18-7-15-8-19(24)21(9-20(15)30-22(18)31)32-12-17-5-3-4-6-26-17/h3-9,11,14H,12H2,1-2H3,(H,30,31)(H,27,28,29).
What are the key properties of 2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile?
2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile has a molecular weight of 446.90 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 146222029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).