2',4'-dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]

C17H16Cl2N2O2 — CID 58075682

IUPAC2',4'-dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]
SMILESCC1(c2ccccc2)CC2(Cc3c(Cl)nc(Cl)nc31)OCCO2
InChIInChI=1S/C17H16Cl2N2O2/c1-16(11-5-3-2-4-6-11)10-17(22-7-8-23-17)9-12-13(16)20-15(19)21-14(12)18/h2-6H,7-10H2,1H3
InChIKeyNWKZWNDMGPPRLT-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.78
Rot. Bonds1

About 2',4'-dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]

2',4'-dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline] (PubChem CID 58075682) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2',4'-dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline].

Molecular Properties

Compound Name2',4'-dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]
PubChem CID58075682
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2',4'-dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]
SMILESCC1(c2ccccc2)CC2(Cc3c(Cl)nc(Cl)nc31)OCCO2
InChIInChI=1S/C17H16Cl2N2O2/c1-16(11-5-3-2-4-6-11)10-17(22-7-8-23-17)9-12-13(16)20-15(19)21-14(12)18/h2-6H,7-10H2,1H3
InChIKeyNWKZWNDMGPPRLT-UHFFFAOYSA-N
XLogP3.78
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2',4'-dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline] with MolForge

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Related Compounds

4-Chloro-6-[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]pyrimidin-2-amine
CID 23570307
2'-Chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]
CID 58075513
(6S)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline
CID 178172466
2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline
CID 178172473
(6R)-2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline
CID 178172480

Frequently Asked Questions

What is the IUPAC name of 2',4'-dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]?
The IUPAC name of 2',4'-dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline] (CID 58075682) is 2',4'-dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline].
What is the SMILES notation for 2',4'-dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]?
The canonical SMILES for 2',4'-dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline] is CC1(c2ccccc2)CC2(Cc3c(Cl)nc(Cl)nc31)OCCO2.
What is the InChIKey of 2',4'-dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]?
The InChIKey is NWKZWNDMGPPRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-16(11-5-3-2-4-6-11)10-17(22-7-8-23-17)9-12-13(16)20-15(19)21-14(12)18/h2-6H,7-10H2,1H3.
What are the key properties of 2',4'-dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]?
2',4'-dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline] has a molecular weight of 351.23 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2',4'-dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline] is sourced from PubChem (CID 58075682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).