(3S)-1-[6-[4-(2-fluorophenyl)pyrimidin-2-yl]quinolin-4-yl]piperidin-3-amine

C24H22FN5 — CID 58387613

IUPAC(3S)-1-[6-[4-(2-fluorophenyl)pyrimidin-2-yl]quinolin-4-yl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccnc3ccc(-c4nccc(-c5ccccc5F)n4)cc23)C1
InChIInChI=1S/C24H22FN5/c25-20-6-2-1-5-18(20)22-9-11-28-24(29-22)16-7-8-21-19(14-16)23(10-12-27-21)30-13-3-4-17(26)15-30/h1-2,5-12,14,17H,3-4,13,15,26H2/t17-/m0/s1
InChIKeyFWUNIMLXFJZAPC-KRWDZBQOSA-N
MW399.47 g/mol
LogP4.43
Rot. Bonds3

About (3S)-1-[6-[4-(2-fluorophenyl)pyrimidin-2-yl]quinolin-4-yl]piperidin-3-amine

(3S)-1-[6-[4-(2-fluorophenyl)pyrimidin-2-yl]quinolin-4-yl]piperidin-3-amine (PubChem CID 58387613) has the molecular formula C24H22FN5 and a molecular weight of 399.47 g/mol. Its IUPAC name is (3S)-1-[6-[4-(2-fluorophenyl)pyrimidin-2-yl]quinolin-4-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[6-[4-(2-fluorophenyl)pyrimidin-2-yl]quinolin-4-yl]piperidin-3-amine
PubChem CID58387613
Molecular FormulaC24H22FN5
Molecular Weight399.47 g/mol
Exact Mass399.19
IUPAC Name(3S)-1-[6-[4-(2-fluorophenyl)pyrimidin-2-yl]quinolin-4-yl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccnc3ccc(-c4nccc(-c5ccccc5F)n4)cc23)C1
InChIInChI=1S/C24H22FN5/c25-20-6-2-1-5-18(20)22-9-11-28-24(29-22)16-7-8-21-19(14-16)23(10-12-27-21)30-13-3-4-17(26)15-30/h1-2,5-12,14,17H,3-4,13,15,26H2/t17-/m0/s1
InChIKeyFWUNIMLXFJZAPC-KRWDZBQOSA-N
XLogP4.43
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-[4-(2-fluorophenyl)pyrimidin-2-yl]quinolin-4-yl]piperidin-3-amine?
The IUPAC name of (3S)-1-[6-[4-(2-fluorophenyl)pyrimidin-2-yl]quinolin-4-yl]piperidin-3-amine (CID 58387613) is (3S)-1-[6-[4-(2-fluorophenyl)pyrimidin-2-yl]quinolin-4-yl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[6-[4-(2-fluorophenyl)pyrimidin-2-yl]quinolin-4-yl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[6-[4-(2-fluorophenyl)pyrimidin-2-yl]quinolin-4-yl]piperidin-3-amine is N[C@H]1CCCN(c2ccnc3ccc(-c4nccc(-c5ccccc5F)n4)cc23)C1.
What is the InChIKey of (3S)-1-[6-[4-(2-fluorophenyl)pyrimidin-2-yl]quinolin-4-yl]piperidin-3-amine?
The InChIKey is FWUNIMLXFJZAPC-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H22FN5/c25-20-6-2-1-5-18(20)22-9-11-28-24(29-22)16-7-8-21-19(14-16)23(10-12-27-21)30-13-3-4-17(26)15-30/h1-2,5-12,14,17H,3-4,13,15,26H2/t17-/m0/s1.
What are the key properties of (3S)-1-[6-[4-(2-fluorophenyl)pyrimidin-2-yl]quinolin-4-yl]piperidin-3-amine?
(3S)-1-[6-[4-(2-fluorophenyl)pyrimidin-2-yl]quinolin-4-yl]piperidin-3-amine has a molecular weight of 399.47 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-[4-(2-fluorophenyl)pyrimidin-2-yl]quinolin-4-yl]piperidin-3-amine is sourced from PubChem (CID 58387613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).