(2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol

C24H22ClN3O — CID 71022765

IUPAC(2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol
SMILESCc1cc(N[C@H](C)CO)nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cn3)cc12
InChIInChI=1S/C24H22ClN3O/c1-15-11-24(27-16(2)14-29)28-23-10-5-18(12-21(15)23)22-9-6-19(13-26-22)17-3-7-20(25)8-4-17/h3-13,16,29H,14H2,1-2H3,(H,27,28)/t16-/m1/s1
InChIKeyCLLJVEDRZCHDDA-MRXNPFEDSA-N
MW403.91 g/mol
LogP5.72
Rot. Bonds5

About (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol

(2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol (PubChem CID 71022765) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol
PubChem CID71022765
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name(2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol
SMILESCc1cc(N[C@H](C)CO)nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cn3)cc12
InChIInChI=1S/C24H22ClN3O/c1-15-11-24(27-16(2)14-29)28-23-10-5-18(12-21(15)23)22-9-6-19(13-26-22)17-3-7-20(25)8-4-17/h3-13,16,29H,14H2,1-2H3,(H,27,28)/t16-/m1/s1
InChIKeyCLLJVEDRZCHDDA-MRXNPFEDSA-N
XLogP5.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol (CID 71022765) is (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol is Cc1cc(N[C@H](C)CO)nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cn3)cc12.
What is the InChIKey of (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol?
The InChIKey is CLLJVEDRZCHDDA-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-15-11-24(27-16(2)14-29)28-23-10-5-18(12-21(15)23)22-9-6-19(13-26-22)17-3-7-20(25)8-4-17/h3-13,16,29H,14H2,1-2H3,(H,27,28)/t16-/m1/s1.
What are the key properties of (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol?
(2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol has a molecular weight of 403.91 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 71022765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).