4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide

C19H18ClN5O — CID 21101797

IUPAC4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccncc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H18ClN5O/c20-14-1-2-16-17(13-14)22-8-5-18(16)24-9-11-25(12-10-24)19(26)23-15-3-6-21-7-4-15/h1-8,13H,9-12H2,(H,21,23,26)
InChIKeyDUBBVYDCMUHPLS-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.64
Rot. Bonds2

About 4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide

4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 21101797) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID21101797
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccncc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H18ClN5O/c20-14-1-2-16-17(13-14)22-8-5-18(16)24-9-11-25(12-10-24)19(26)23-15-3-6-21-7-4-15/h1-8,13H,9-12H2,(H,21,23,26)
InChIKeyDUBBVYDCMUHPLS-UHFFFAOYSA-N
XLogP3.64
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7-chloroquinolin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 134142480
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 46227121
1,9-bis[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]nonane-1,9-dione
CID 10748618
5-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid
CID 10816810
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 57389219
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one
CID 57389220
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-3-piperidin-1-ylpropan-1-one
CID 10438408
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
4-(7-chloroquinolin-4-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine-1-carboxamide
CID 58864149
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone
CID 134130907
4-[7-chloro-2-[(4-methylphenyl)carbamoylamino]quinolin-4-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 21101709

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide (CID 21101797) is 4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide is O=C(Nc1ccncc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is DUBBVYDCMUHPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c20-14-1-2-16-17(13-14)22-8-5-18(16)24-9-11-25(12-10-24)19(26)23-15-3-6-21-7-4-15/h1-8,13H,9-12H2,(H,21,23,26).
What are the key properties of 4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide?
4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 21101797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).