(6S)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline

C15H14Cl2N2O — CID 178172466

IUPAC(6S)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline
SMILESCO[C@@]1(c2ccccc2)CCc2nc(Cl)nc(Cl)c2C1
InChIInChI=1S/C15H14Cl2N2O/c1-20-15(10-5-3-2-4-6-10)8-7-12-11(9-15)13(16)19-14(17)18-12/h2-6H,7-9H2,1H3/t15-/m0/s1
InChIKeyVEOBAZTXFKQBAY-HNNXBMFYSA-N
MW309.20 g/mol
LogP3.81
Rot. Bonds2

About (6S)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline

(6S)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline (PubChem CID 178172466) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is (6S)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline.

Molecular Properties

Compound Name(6S)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline
PubChem CID178172466
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name(6S)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline
SMILESCO[C@@]1(c2ccccc2)CCc2nc(Cl)nc(Cl)c2C1
InChIInChI=1S/C15H14Cl2N2O/c1-20-15(10-5-3-2-4-6-10)8-7-12-11(9-15)13(16)19-14(17)18-12/h2-6H,7-9H2,1H3/t15-/m0/s1
InChIKeyVEOBAZTXFKQBAY-HNNXBMFYSA-N
XLogP3.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dichloro-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine
CID 58075255
2,4-dichloro-8-(4-(trifluoromethyl)phenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 58075462
2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
CID 58075481
2,4-dichloro-8-(3,4-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 58075539
2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 58075759
2,4-dichloro-8-[4-(fluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 117772487
2-(Benzyloxy)-4-chloro-6-methylpyrimidine
CID 19693873
6-Phenylmethoxy-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 19705229
2,4-Dichloro-8-methyl-8-phenyl-5,7-dihydropyrano[4,3-d]pyrimidine
CID 58075262
2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 58075279
2,4-Dichloro-5,8-dihydro-8-phenyl-6H-pyrano[3,4-d]pyrimidine
CID 58075379
2,4-dichloro-8-(4-chlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 58075400

Frequently Asked Questions

What is the IUPAC name of (6S)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline?
The IUPAC name of (6S)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline (CID 178172466) is (6S)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline.
What is the SMILES notation for (6S)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline?
The canonical SMILES for (6S)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline is CO[C@@]1(c2ccccc2)CCc2nc(Cl)nc(Cl)c2C1.
What is the InChIKey of (6S)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline?
The InChIKey is VEOBAZTXFKQBAY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-20-15(10-5-3-2-4-6-10)8-7-12-11(9-15)13(16)19-14(17)18-12/h2-6H,7-9H2,1H3/t15-/m0/s1.
What are the key properties of (6S)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline?
(6S)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline has a molecular weight of 309.20 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline is sourced from PubChem (CID 178172466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).