N,4-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-6-carboxamide

C24H27N3O2 — CID 154757536

IUPACN,4-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-6-carboxamide
SMILESCc1ccnc2ccc(C(=O)N(C)c3ccc(OCCN4CCCC4)cc3)cc12
InChIInChI=1S/C24H27N3O2/c1-18-11-12-25-23-10-5-19(17-22(18)23)24(28)26(2)20-6-8-21(9-7-20)29-16-15-27-13-3-4-14-27/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeySBFWVELSPDXGSN-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.29
Rot. Bonds6

About N,4-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-6-carboxamide

N,4-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-6-carboxamide (PubChem CID 154757536) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N,4-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-6-carboxamide
PubChem CID154757536
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN,4-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-6-carboxamide
SMILESCc1ccnc2ccc(C(=O)N(C)c3ccc(OCCN4CCCC4)cc3)cc12
InChIInChI=1S/C24H27N3O2/c1-18-11-12-25-23-10-5-19(17-22(18)23)24(28)26(2)20-6-8-21(9-7-20)29-16-15-27-13-3-4-14-27/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeySBFWVELSPDXGSN-UHFFFAOYSA-N
XLogP4.29
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide
CID 126798189
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-2-en-1-one
CID 162367138
2-[4,7-bis(carboxymethyl)-10-[2-[4-[3-[4-[(E)-2-(4-methylquinolin-6-yl)ethenyl]phenoxy]propyl]piperazin-1-yl]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 177034282
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one
CID 140994444
2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one
CID 166906888
1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine
CID 71038694

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-6-carboxamide?
The IUPAC name of N,4-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-6-carboxamide (CID 154757536) is N,4-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-6-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-6-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-6-carboxamide is Cc1ccnc2ccc(C(=O)N(C)c3ccc(OCCN4CCCC4)cc3)cc12.
What is the InChIKey of N,4-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-6-carboxamide?
The InChIKey is SBFWVELSPDXGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18-11-12-25-23-10-5-19(17-22(18)23)24(28)26(2)20-6-8-21(9-7-20)29-16-15-27-13-3-4-14-27/h5-12,17H,3-4,13-16H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-6-carboxamide?
N,4-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-6-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-6-carboxamide is sourced from PubChem (CID 154757536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).