4-chloro-2-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]quinazoline

C27H22ClN5 — CID 89419490

IUPAC4-chloro-2-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]quinazoline
SMILESCc1cccc(-c2cccc(CCCc3cccc(-c4nc(Cl)c5ccccc5n4)n3)n2)n1
InChIInChI=1S/C27H22ClN5/c1-18-8-4-15-23(29-18)24-16-6-11-19(30-24)9-5-10-20-12-7-17-25(31-20)27-32-22-14-3-2-13-21(22)26(28)33-27/h2-4,6-8,11-17H,5,9-10H2,1H3
InChIKeySXZNWWHLPXKOMM-UHFFFAOYSA-N
MW451.96 g/mol
LogP6.29
Rot. Bonds6

About 4-chloro-2-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]quinazoline

4-chloro-2-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]quinazoline (PubChem CID 89419490) has the molecular formula C27H22ClN5 and a molecular weight of 451.96 g/mol. Its IUPAC name is 4-chloro-2-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name4-chloro-2-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]quinazoline
PubChem CID89419490
Molecular FormulaC27H22ClN5
Molecular Weight451.96 g/mol
Exact Mass451.16
IUPAC Name4-chloro-2-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]quinazoline
SMILESCc1cccc(-c2cccc(CCCc3cccc(-c4nc(Cl)c5ccccc5n4)n3)n2)n1
InChIInChI=1S/C27H22ClN5/c1-18-8-4-15-23(29-18)24-16-6-11-19(30-24)9-5-10-20-12-7-17-25(31-20)27-32-22-14-3-2-13-21(22)26(28)33-27/h2-4,6-8,11-17H,5,9-10H2,1H3
InChIKeySXZNWWHLPXKOMM-UHFFFAOYSA-N
XLogP6.29
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.96
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]quinazoline?
The IUPAC name of 4-chloro-2-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]quinazoline (CID 89419490) is 4-chloro-2-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]quinazoline.
What is the SMILES notation for 4-chloro-2-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]quinazoline?
The canonical SMILES for 4-chloro-2-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]quinazoline is Cc1cccc(-c2cccc(CCCc3cccc(-c4nc(Cl)c5ccccc5n4)n3)n2)n1.
What is the InChIKey of 4-chloro-2-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]quinazoline?
The InChIKey is SXZNWWHLPXKOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN5/c1-18-8-4-15-23(29-18)24-16-6-11-19(30-24)9-5-10-20-12-7-17-25(31-20)27-32-22-14-3-2-13-21(22)26(28)33-27/h2-4,6-8,11-17H,5,9-10H2,1H3.
What are the key properties of 4-chloro-2-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]quinazoline?
4-chloro-2-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]quinazoline has a molecular weight of 451.96 g/mol, XLogP of 6.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]quinazoline is sourced from PubChem (CID 89419490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).