[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-methylpiperazin-1-yl)methanone

C18H20ClN7O — CID 135198783

IUPAC[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(Nc2nc(C(=O)N3CCN(C)CC3)nc3ccc(Cl)cc23)n[nH]1
InChIInChI=1S/C18H20ClN7O/c1-11-9-15(24-23-11)21-16-13-10-12(19)3-4-14(13)20-17(22-16)18(27)26-7-5-25(2)6-8-26/h3-4,9-10H,5-8H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyDATKIMBDADJJNR-UHFFFAOYSA-N
MW385.86 g/mol
LogP2.45
Rot. Bonds3

About [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-methylpiperazin-1-yl)methanone

[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 135198783) has the molecular formula C18H20ClN7O and a molecular weight of 385.86 g/mol. Its IUPAC name is [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID135198783
Molecular FormulaC18H20ClN7O
Molecular Weight385.86 g/mol
Exact Mass385.14
IUPAC Name[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(Nc2nc(C(=O)N3CCN(C)CC3)nc3ccc(Cl)cc23)n[nH]1
InChIInChI=1S/C18H20ClN7O/c1-11-9-15(24-23-11)21-16-13-10-12(19)3-4-14(13)20-17(22-16)18(27)26-7-5-25(2)6-8-26/h3-4,9-10H,5-8H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyDATKIMBDADJJNR-UHFFFAOYSA-N
XLogP2.45
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 132274772
[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 137348710
[2-(3-chlorophenylamino)-quinazolin-4-yl]-(5-methyl-2H-pyrazol-3-yl)-amine
CID 9924567
[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 134817245
(4-aminopiperidin-1-yl)-[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone
CID 135198759
[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 135198764
[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone
CID 135198771
[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone
CID 135198778
[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone
CID 135198787
[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 135198795
[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(2R)-2-methylpiperazin-1-yl]methanone
CID 135198796
[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-ethylpiperazin-1-yl]methanone
CID 135198799

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 135198783) is [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-methylpiperazin-1-yl)methanone is Cc1cc(Nc2nc(C(=O)N3CCN(C)CC3)nc3ccc(Cl)cc23)n[nH]1.
What is the InChIKey of [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DATKIMBDADJJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7O/c1-11-9-15(24-23-11)21-16-13-10-12(19)3-4-14(13)20-17(22-16)18(27)26-7-5-25(2)6-8-26/h3-4,9-10H,5-8H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 385.86 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 135198783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).