(2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C18H16ClN5O — CID 8010507

IUPAC(2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)nc2ccccc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H16ClN5O/c19-16-12-14(13-4-1-2-5-15(13)22-16)17(25)23-8-10-24(11-9-23)18-20-6-3-7-21-18/h1-7,12H,8-11H2
InChIKeyNAKKIFLABKQHJK-UHFFFAOYSA-N
MW353.81 g/mol
LogP2.64
Rot. Bonds2

About (2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 8010507) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is (2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID8010507
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name(2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)nc2ccccc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H16ClN5O/c19-16-12-14(13-4-1-2-5-15(13)22-16)17(25)23-8-10-24(11-9-23)18-20-6-3-7-21-18/h1-7,12H,8-11H2
InChIKeyNAKKIFLABKQHJK-UHFFFAOYSA-N
XLogP2.64
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737251
[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2382262
(2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone
CID 31399795
1-[4-(2-chloroquinoline-4-carbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 55917218
[4-(2-chloroquinoline-4-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55785069
N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide
CID 46375275
(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529
(2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 104920816
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 27535973
(2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678213
1-benzothiophen-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932774
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 8010507) is (2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cc(Cl)nc2ccccc12)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NAKKIFLABKQHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c19-16-12-14(13-4-1-2-5-15(13)22-16)17(25)23-8-10-24(11-9-23)18-20-6-3-7-21-18/h1-7,12H,8-11H2.
What are the key properties of (2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 353.81 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 8010507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).