8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline

C16H11ClIN3 — CID 66312890

IUPAC8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline
SMILESClc1nc(-c2cccc3cccnc23)nc(C2CC2)c1I
InChIInChI=1S/C16H11ClIN3/c17-15-12(18)14(10-6-7-10)20-16(21-15)11-5-1-3-9-4-2-8-19-13(9)11/h1-5,8,10H,6-7H2
InChIKeyOVIKAPMEROSCOC-UHFFFAOYSA-N
MW407.64 g/mol
LogP4.83
Rot. Bonds2

About 8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline

8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline (PubChem CID 66312890) has the molecular formula C16H11ClIN3 and a molecular weight of 407.64 g/mol. Its IUPAC name is 8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline.

Molecular Properties

Compound Name8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline
PubChem CID66312890
Molecular FormulaC16H11ClIN3
Molecular Weight407.64 g/mol
Exact Mass406.97
IUPAC Name8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline
SMILESClc1nc(-c2cccc3cccnc23)nc(C2CC2)c1I
InChIInChI=1S/C16H11ClIN3/c17-15-12(18)14(10-6-7-10)20-16(21-15)11-5-1-3-9-4-2-8-19-13(9)11/h1-5,8,10H,6-7H2
InChIKeyOVIKAPMEROSCOC-UHFFFAOYSA-N
XLogP4.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.64
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine
CID 66292880
4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine
CID 113390292
4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine
CID 66292684
8-(4-chloro-6-ethyl-5-iodopyrimidin-2-yl)quinoline
CID 66311874
4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine
CID 103443032
6-cyclopropyl-2-quinolin-8-ylpyrimidin-4-amine
CID 63970784
8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62876053
4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine
CID 66293487
8-cyclopropylquinoline
CID 66823369
8-(2,4,6-trichlorophenyl)quinoline
CID 126516412
4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol
CID 136730066
6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine
CID 66297541

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline?
The IUPAC name of 8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline (CID 66312890) is 8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline.
What is the SMILES notation for 8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline?
The canonical SMILES for 8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline is Clc1nc(-c2cccc3cccnc23)nc(C2CC2)c1I.
What is the InChIKey of 8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline?
The InChIKey is OVIKAPMEROSCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClIN3/c17-15-12(18)14(10-6-7-10)20-16(21-15)11-5-1-3-9-4-2-8-19-13(9)11/h1-5,8,10H,6-7H2.
What are the key properties of 8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline?
8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline has a molecular weight of 407.64 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline is sourced from PubChem (CID 66312890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).