(2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone

C26H29N3O2 — CID 17473888

IUPAC(2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C)cc1CN1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1
InChIInChI=1S/C26H29N3O2/c1-18-7-10-25(31-2)20(15-18)17-28-11-13-29(14-12-28)26(30)22-16-24(19-8-9-19)27-23-6-4-3-5-21(22)23/h3-7,10,15-16,19H,8-9,11-14,17H2,1-2H3
InChIKeyQRXYVHRPYIHIRI-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.39
Rot. Bonds5

About (2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone

(2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 17473888) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID17473888
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name(2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C)cc1CN1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1
InChIInChI=1S/C26H29N3O2/c1-18-7-10-25(31-2)20(15-18)17-28-11-13-29(14-12-28)26(30)22-16-24(19-8-9-19)27-23-6-4-3-5-21(22)23/h3-7,10,15-16,19H,8-9,11-14,17H2,1-2H3
InChIKeyQRXYVHRPYIHIRI-UHFFFAOYSA-N
XLogP4.39
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 39488256
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone
CID 39586117
(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78794847
(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645943
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4259485
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 35330467
(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55761507
2-[2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 17477642
naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122414
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 31559920

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone (CID 17473888) is (2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone is COc1ccc(C)cc1CN1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1.
What is the InChIKey of (2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is QRXYVHRPYIHIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-18-7-10-25(31-2)20(15-18)17-28-11-13-29(14-12-28)26(30)22-16-24(19-8-9-19)27-23-6-4-3-5-21(22)23/h3-7,10,15-16,19H,8-9,11-14,17H2,1-2H3.
What are the key properties of (2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone?
(2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 415.54 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 17473888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).