chloromethane;4-(3-phenylphenyl)-3,8a-dihydroquinazoline

C21H19ClN2 — CID 142290266

IUPACchloromethane;4-(3-phenylphenyl)-3,8a-dihydroquinazoline
SMILESC1=CC2=C(c3cccc(-c4ccccc4)c3)NC=NC2C=C1.CCl
InChIInChI=1S/C20H16N2.CH3Cl/c1-2-7-15(8-3-1)16-9-6-10-17(13-16)20-18-11-4-5-12-19(18)21-14-22-20;1-2/h1-14,19H,(H,21,22);1H3
InChIKeyPNSLMGZQZCGYBQ-UHFFFAOYSA-N
MW334.85 g/mol
LogP5.05
Rot. Bonds2

About chloromethane;4-(3-phenylphenyl)-3,8a-dihydroquinazoline

chloromethane;4-(3-phenylphenyl)-3,8a-dihydroquinazoline (PubChem CID 142290266) has the molecular formula C21H19ClN2 and a molecular weight of 334.85 g/mol. Its IUPAC name is chloromethane;4-(3-phenylphenyl)-3,8a-dihydroquinazoline.

Molecular Properties

Compound Namechloromethane;4-(3-phenylphenyl)-3,8a-dihydroquinazoline
PubChem CID142290266
Molecular FormulaC21H19ClN2
Molecular Weight334.85 g/mol
Exact Mass334.12
IUPAC Namechloromethane;4-(3-phenylphenyl)-3,8a-dihydroquinazoline
SMILESC1=CC2=C(c3cccc(-c4ccccc4)c3)NC=NC2C=C1.CCl
InChIInChI=1S/C20H16N2.CH3Cl/c1-2-7-15(8-3-1)16-9-6-10-17(13-16)20-18-11-4-5-12-19(18)21-14-22-20;1-2/h1-14,19H,(H,21,22);1H3
InChIKeyPNSLMGZQZCGYBQ-UHFFFAOYSA-N
XLogP5.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.85
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(1,3-diphenylbenzene);ethane
CID 144938975
1,3-diphenylbenzene;ethane;methane
CID 171489435
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
2-[3-(9-methyl-6a,9,10,12b-tetrahydrobenzo[c]phenanthren-7-yl)phenyl]-4-phenyl-3,8a-dihydroquinazoline
CID 129306568
3-phenyl-2,7a-dihydro-1H-indazole
CID 90076023
4-(9,9-diphenylxanthen-4-yl)-2-phenyl-3,8a-dihydroquinazoline
CID 166914693
4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline
CID 166908782
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504

Frequently Asked Questions

What is the IUPAC name of chloromethane;4-(3-phenylphenyl)-3,8a-dihydroquinazoline?
The IUPAC name of chloromethane;4-(3-phenylphenyl)-3,8a-dihydroquinazoline (CID 142290266) is chloromethane;4-(3-phenylphenyl)-3,8a-dihydroquinazoline.
What is the SMILES notation for chloromethane;4-(3-phenylphenyl)-3,8a-dihydroquinazoline?
The canonical SMILES for chloromethane;4-(3-phenylphenyl)-3,8a-dihydroquinazoline is C1=CC2=C(c3cccc(-c4ccccc4)c3)NC=NC2C=C1.CCl.
What is the InChIKey of chloromethane;4-(3-phenylphenyl)-3,8a-dihydroquinazoline?
The InChIKey is PNSLMGZQZCGYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2.CH3Cl/c1-2-7-15(8-3-1)16-9-6-10-17(13-16)20-18-11-4-5-12-19(18)21-14-22-20;1-2/h1-14,19H,(H,21,22);1H3.
What are the key properties of chloromethane;4-(3-phenylphenyl)-3,8a-dihydroquinazoline?
chloromethane;4-(3-phenylphenyl)-3,8a-dihydroquinazoline has a molecular weight of 334.85 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;4-(3-phenylphenyl)-3,8a-dihydroquinazoline is sourced from PubChem (CID 142290266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).