6-chloro-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methylidene-3H-quinazoline

C19H18ClN3 — CID 166782125

IUPAC6-chloro-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methylidene-3H-quinazoline
SMILESC=C1NC(CN2CCCc3ccccc32)=Nc2ccc(Cl)cc21
InChIInChI=1S/C19H18ClN3/c1-13-16-11-15(20)8-9-17(16)22-19(21-13)12-23-10-4-6-14-5-2-3-7-18(14)23/h2-3,5,7-9,11H,1,4,6,10,12H2,(H,21,22)
InChIKeyWLAQNEVHRLLPNB-UHFFFAOYSA-N
MW323.83 g/mol
LogP4.40
Rot. Bonds2

About 6-chloro-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methylidene-3H-quinazoline

6-chloro-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methylidene-3H-quinazoline (PubChem CID 166782125) has the molecular formula C19H18ClN3 and a molecular weight of 323.83 g/mol. Its IUPAC name is 6-chloro-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methylidene-3H-quinazoline.

Molecular Properties

Compound Name6-chloro-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methylidene-3H-quinazoline
PubChem CID166782125
Molecular FormulaC19H18ClN3
Molecular Weight323.83 g/mol
Exact Mass323.12
IUPAC Name6-chloro-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methylidene-3H-quinazoline
SMILESC=C1NC(CN2CCCc3ccccc32)=Nc2ccc(Cl)cc21
InChIInChI=1S/C19H18ClN3/c1-13-16-11-15(20)8-9-17(16)22-19(21-13)12-23-10-4-6-14-5-2-3-7-18(14)23/h2-3,5,7-9,11H,1,4,6,10,12H2,(H,21,22)
InChIKeyWLAQNEVHRLLPNB-UHFFFAOYSA-N
XLogP4.40
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methylidene-3H-quinazoline?
The IUPAC name of 6-chloro-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methylidene-3H-quinazoline (CID 166782125) is 6-chloro-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methylidene-3H-quinazoline.
What is the SMILES notation for 6-chloro-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methylidene-3H-quinazoline?
The canonical SMILES for 6-chloro-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methylidene-3H-quinazoline is C=C1NC(CN2CCCc3ccccc32)=Nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methylidene-3H-quinazoline?
The InChIKey is WLAQNEVHRLLPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3/c1-13-16-11-15(20)8-9-17(16)22-19(21-13)12-23-10-4-6-14-5-2-3-7-18(14)23/h2-3,5,7-9,11H,1,4,6,10,12H2,(H,21,22).
What are the key properties of 6-chloro-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methylidene-3H-quinazoline?
6-chloro-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methylidene-3H-quinazoline has a molecular weight of 323.83 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methylidene-3H-quinazoline is sourced from PubChem (CID 166782125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).