2-[(R)-(cyclopropylamino)-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine

C23H22FN5 — CID 66613533

IUPAC2-[(R)-(cyclopropylamino)-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine
SMILESCc1cc(Nc2cc([C@H](NC3CC3)c3ccc(F)cc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C23H22FN5/c1-14-12-22(29-28-14)27-20-13-21(26-19-5-3-2-4-18(19)20)23(25-17-10-11-17)15-6-8-16(24)9-7-15/h2-9,12-13,17,23,25H,10-11H2,1H3,(H2,26,27,28,29)/t23-/m1/s1
InChIKeyQRGYRNHUDQDJHY-HSZRJFAPSA-N
MW387.46 g/mol
LogP4.99
Rot. Bonds6

About 2-[(R)-(cyclopropylamino)-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine

2-[(R)-(cyclopropylamino)-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine (PubChem CID 66613533) has the molecular formula C23H22FN5 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[(R)-(cyclopropylamino)-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine.

Molecular Properties

Compound Name2-[(R)-(cyclopropylamino)-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine
PubChem CID66613533
Molecular FormulaC23H22FN5
Molecular Weight387.46 g/mol
Exact Mass387.19
IUPAC Name2-[(R)-(cyclopropylamino)-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine
SMILESCc1cc(Nc2cc([C@H](NC3CC3)c3ccc(F)cc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C23H22FN5/c1-14-12-22(29-28-14)27-20-13-21(26-19-5-3-2-4-18(19)20)23(25-17-10-11-17)15-6-8-16(24)9-7-15/h2-9,12-13,17,23,25H,10-11H2,1H3,(H2,26,27,28,29)/t23-/m1/s1
InChIKeyQRGYRNHUDQDJHY-HSZRJFAPSA-N
XLogP4.99
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(cyclopropylamino)-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine?
The IUPAC name of 2-[(R)-(cyclopropylamino)-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine (CID 66613533) is 2-[(R)-(cyclopropylamino)-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine.
What is the SMILES notation for 2-[(R)-(cyclopropylamino)-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine?
The canonical SMILES for 2-[(R)-(cyclopropylamino)-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine is Cc1cc(Nc2cc([C@H](NC3CC3)c3ccc(F)cc3)nc3ccccc23)n[nH]1.
What is the InChIKey of 2-[(R)-(cyclopropylamino)-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine?
The InChIKey is QRGYRNHUDQDJHY-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H22FN5/c1-14-12-22(29-28-14)27-20-13-21(26-19-5-3-2-4-18(19)20)23(25-17-10-11-17)15-6-8-16(24)9-7-15/h2-9,12-13,17,23,25H,10-11H2,1H3,(H2,26,27,28,29)/t23-/m1/s1.
What are the key properties of 2-[(R)-(cyclopropylamino)-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine?
2-[(R)-(cyclopropylamino)-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine has a molecular weight of 387.46 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(cyclopropylamino)-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine is sourced from PubChem (CID 66613533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).