2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline

C18H16ClN3O — CID 71542890

IUPAC2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline
SMILESCOc1ccc2c(c1)CCCN2c1nc(Cl)nc2ccccc12
InChIInChI=1S/C18H16ClN3O/c1-23-13-8-9-16-12(11-13)5-4-10-22(16)17-14-6-2-3-7-15(14)20-18(19)21-17/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyBJGUNGDUBFAZJF-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.38
Rot. Bonds2

About 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline

2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline (PubChem CID 71542890) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline.

Molecular Properties

Compound Name2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline
PubChem CID71542890
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline
SMILESCOc1ccc2c(c1)CCCN2c1nc(Cl)nc2ccccc12
InChIInChI=1S/C18H16ClN3O/c1-23-13-8-9-16-12(11-13)5-4-10-22(16)17-14-6-2-3-7-15(14)20-18(19)21-17/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyBJGUNGDUBFAZJF-UHFFFAOYSA-N
XLogP4.38
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline?
The IUPAC name of 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline (CID 71542890) is 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline.
What is the SMILES notation for 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline?
The canonical SMILES for 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline is COc1ccc2c(c1)CCCN2c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline?
The InChIKey is BJGUNGDUBFAZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-23-13-8-9-16-12(11-13)5-4-10-22(16)17-14-6-2-3-7-15(14)20-18(19)21-17/h2-3,6-9,11H,4-5,10H2,1H3.
What are the key properties of 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline?
2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline has a molecular weight of 325.80 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline is sourced from PubChem (CID 71542890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).