2-chloro-4-[[4-(1-methylpyrazol-4-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile

C19H13ClN6O — CID 162368330

IUPAC2-chloro-4-[[4-(1-methylpyrazol-4-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(=O)[nH]c3ccc(Nc4ccnc(Cl)c4C#N)cc23)cn1
InChIInChI=1S/C19H13ClN6O/c1-26-10-11(9-23-26)13-7-18(27)25-16-3-2-12(6-14(13)16)24-17-4-5-22-19(20)15(17)8-21/h2-7,9-10H,1H3,(H,22,24)(H,25,27)
InChIKeySDOMHVYWCBCKFI-UHFFFAOYSA-N
MW376.81 g/mol
LogP3.59
Rot. Bonds3

About 2-chloro-4-[[4-(1-methylpyrazol-4-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile

2-chloro-4-[[4-(1-methylpyrazol-4-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile (PubChem CID 162368330) has the molecular formula C19H13ClN6O and a molecular weight of 376.81 g/mol. Its IUPAC name is 2-chloro-4-[[4-(1-methylpyrazol-4-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-[[4-(1-methylpyrazol-4-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
PubChem CID162368330
Molecular FormulaC19H13ClN6O
Molecular Weight376.81 g/mol
Exact Mass376.08
IUPAC Name2-chloro-4-[[4-(1-methylpyrazol-4-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(=O)[nH]c3ccc(Nc4ccnc(Cl)c4C#N)cc23)cn1
InChIInChI=1S/C19H13ClN6O/c1-26-10-11(9-23-26)13-7-18(27)25-16-3-2-12(6-14(13)16)24-17-4-5-22-19(20)15(17)8-21/h2-7,9-10H,1H3,(H,22,24)(H,25,27)
InChIKeySDOMHVYWCBCKFI-UHFFFAOYSA-N
XLogP3.59
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

US11161839, Example 3l
CID 135386472
2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 162368329
2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 162368331
2-Chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile
CID 162368333
2-Chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 163359800
2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide
CID 135386617
US10617680, Example 372
CID 135355357
US10617680, Example 370
CID 135355398
US10617680, Example 367
CID 135355538
2-chloro-4-[[4-(dimethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 166627691
2-chloro-4-[(2-oxo-4-piperidin-1-yl-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile
CID 166632372
2-chloro-4-[(5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-9-yl)amino]pyridine-3-carbonitrile
CID 168288488

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(1-methylpyrazol-4-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-[[4-(1-methylpyrazol-4-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile (CID 162368330) is 2-chloro-4-[[4-(1-methylpyrazol-4-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-[[4-(1-methylpyrazol-4-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-[[4-(1-methylpyrazol-4-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile is Cn1cc(-c2cc(=O)[nH]c3ccc(Nc4ccnc(Cl)c4C#N)cc23)cn1.
What is the InChIKey of 2-chloro-4-[[4-(1-methylpyrazol-4-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile?
The InChIKey is SDOMHVYWCBCKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6O/c1-26-10-11(9-23-26)13-7-18(27)25-16-3-2-12(6-14(13)16)24-17-4-5-22-19(20)15(17)8-21/h2-7,9-10H,1H3,(H,22,24)(H,25,27).
What are the key properties of 2-chloro-4-[[4-(1-methylpyrazol-4-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile?
2-chloro-4-[[4-(1-methylpyrazol-4-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile has a molecular weight of 376.81 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(1-methylpyrazol-4-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 162368330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).