4-chloro-6-(quinolin-4-ylmethyl)pyrimidine-5-carbaldehyde

C15H10ClN3O — CID 79079896

IUPAC4-chloro-6-(quinolin-4-ylmethyl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1Cc1ccnc2ccccc12
InChIInChI=1S/C15H10ClN3O/c16-15-12(8-20)14(18-9-19-15)7-10-5-6-17-13-4-2-1-3-11(10)13/h1-6,8-9H,7H2
InChIKeySULNWXJIEDVKEE-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.08
Rot. Bonds3

About 4-chloro-6-(quinolin-4-ylmethyl)pyrimidine-5-carbaldehyde

4-chloro-6-(quinolin-4-ylmethyl)pyrimidine-5-carbaldehyde (PubChem CID 79079896) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 4-chloro-6-(quinolin-4-ylmethyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(quinolin-4-ylmethyl)pyrimidine-5-carbaldehyde
PubChem CID79079896
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name4-chloro-6-(quinolin-4-ylmethyl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1Cc1ccnc2ccccc12
InChIInChI=1S/C15H10ClN3O/c16-15-12(8-20)14(18-9-19-15)7-10-5-6-17-13-4-2-1-3-11(10)13/h1-6,8-9H,7H2
InChIKeySULNWXJIEDVKEE-UHFFFAOYSA-N
XLogP3.08
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carbaldehyde
CID 79820062
4-(quinolin-4-ylmethyl)phenol
CID 83128983
3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal
CID 19824915
4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde
CID 79078535
3-chloro-4-(quinolin-4-ylmethyl)benzoic acid
CID 81294252
1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine
CID 104997404
[5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine
CID 66159150
N-methoxy-1-quinolin-4-ylmethanamine
CID 79235633
4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde
CID 106196551
3-quinolin-4-ylpropan-1-ol
CID 21218471
2,3-dichloroquinoline-4-carbaldehyde
CID 174397370
2,4-dichloroquinoline-3-carbaldehyde
CID 14920516

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(quinolin-4-ylmethyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(quinolin-4-ylmethyl)pyrimidine-5-carbaldehyde (CID 79079896) is 4-chloro-6-(quinolin-4-ylmethyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(quinolin-4-ylmethyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(quinolin-4-ylmethyl)pyrimidine-5-carbaldehyde is O=Cc1c(Cl)ncnc1Cc1ccnc2ccccc12.
What is the InChIKey of 4-chloro-6-(quinolin-4-ylmethyl)pyrimidine-5-carbaldehyde?
The InChIKey is SULNWXJIEDVKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-15-12(8-20)14(18-9-19-15)7-10-5-6-17-13-4-2-1-3-11(10)13/h1-6,8-9H,7H2.
What are the key properties of 4-chloro-6-(quinolin-4-ylmethyl)pyrimidine-5-carbaldehyde?
4-chloro-6-(quinolin-4-ylmethyl)pyrimidine-5-carbaldehyde has a molecular weight of 283.72 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(quinolin-4-ylmethyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 79079896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).