N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide

C27H26N6O2 — CID 46375275

IUPACN-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C27H26N6O2/c1-2-25(34)30-20-10-8-19(9-11-20)24-18-22(21-6-3-4-7-23(21)31-24)26(35)32-14-16-33(17-15-32)27-28-12-5-13-29-27/h3-13,18H,2,14-17H2,1H3,(H,30,34)
InChIKeyQKEFQFQTZCUBQA-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.00
Rot. Bonds5

About N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide

N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide (PubChem CID 46375275) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide
PubChem CID46375275
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC NameN-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C27H26N6O2/c1-2-25(34)30-20-10-8-19(9-11-20)24-18-22(21-6-3-4-7-23(21)31-24)26(35)32-14-16-33(17-15-32)27-28-12-5-13-29-27/h3-13,18H,2,14-17H2,1H3,(H,30,34)
InChIKeyQKEFQFQTZCUBQA-UHFFFAOYSA-N
XLogP4.00
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide
CID 46375237
[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2382262
N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide
CID 46375271
N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
CID 50816149
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
(6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1261235
(2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 8010507
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
(2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737251
N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide
CID 46375309
ethyl 1-[2-(4-acetamidophenyl)quinoline-4-carbonyl]piperidine-4-carboxylate
CID 46375305
N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 131913533

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide?
The IUPAC name of N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide (CID 46375275) is N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide is CCC(=O)Nc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide?
The InChIKey is QKEFQFQTZCUBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-2-25(34)30-20-10-8-19(9-11-20)24-18-22(21-6-3-4-7-23(21)31-24)26(35)32-14-16-33(17-15-32)27-28-12-5-13-29-27/h3-13,18H,2,14-17H2,1H3,(H,30,34).
What are the key properties of N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide?
N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide has a molecular weight of 466.55 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide is sourced from PubChem (CID 46375275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).