(2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol

C19H27N3O — CID 133499647

IUPAC(2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCCc1c(C)nc2ccccc2c1N1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C19H27N3O/c1-4-16-15(3)20-18-8-6-5-7-17(18)19(16)22-11-9-21(10-12-22)13-14(2)23/h5-8,14,23H,4,9-13H2,1-3H3/t14-/m1/s1
InChIKeyXTVMGWBGLYLQOG-CQSZACIVSA-N
MW313.45 g/mol
LogP2.61
Rot. Bonds4

About (2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol

(2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol (PubChem CID 133499647) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is (2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol
PubChem CID133499647
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name(2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCCc1c(C)nc2ccccc2c1N1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C19H27N3O/c1-4-16-15(3)20-18-8-6-5-7-17(18)19(16)22-11-9-21(10-12-22)13-14(2)23/h5-8,14,23H,4,9-13H2,1-3H3/t14-/m1/s1
InChIKeyXTVMGWBGLYLQOG-CQSZACIVSA-N
XLogP2.61
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline
CID 138042690
1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048463
4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile
CID 133486256
N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide
CID 133437703
3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline
CID 133437612
(2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol
CID 95150705
1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 138042688
methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 133438071
(2R)-1-[4-(3-morpholin-4-ylquinoxalin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486263
[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133438479
methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
CID 110433990
3-[4-(3-ethyl-2-methylquinolin-4-yl)morpholin-2-yl]phenol
CID 133438456

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol (CID 133499647) is (2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol is CCc1c(C)nc2ccccc2c1N1CCN(C[C@@H](C)O)CC1.
What is the InChIKey of (2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is XTVMGWBGLYLQOG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N3O/c1-4-16-15(3)20-18-8-6-5-7-17(18)19(16)22-11-9-21(10-12-22)13-14(2)23/h5-8,14,23H,4,9-13H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol?
(2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 313.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133499647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).