4,6-dichloro-1a,7b-dihydro-1H-cyclopropa[h]quinazoline

C9H6Cl2N2 — CID 154620284

IUPAC4,6-dichloro-1a,7b-dihydro-1H-cyclopropa[h]quinazoline
SMILESClc1nc(Cl)c2c(n1)C1CC1C=C2
InChIInChI=1S/C9H6Cl2N2/c10-8-5-2-1-4-3-6(4)7(5)12-9(11)13-8/h1-2,4,6H,3H2
InChIKeyDOQCFFHNLVTFSZ-UHFFFAOYSA-N
MW213.07 g/mol
LogP2.91
Rot. Bonds

About 4,6-dichloro-1a,7b-dihydro-1H-cyclopropa[h]quinazoline

4,6-dichloro-1a,7b-dihydro-1H-cyclopropa[h]quinazoline (PubChem CID 154620284) has the molecular formula C9H6Cl2N2 and a molecular weight of 213.07 g/mol. Its IUPAC name is 4,6-dichloro-1a,7b-dihydro-1H-cyclopropa[h]quinazoline.

Molecular Properties

Compound Name4,6-dichloro-1a,7b-dihydro-1H-cyclopropa[h]quinazoline
PubChem CID154620284
Molecular FormulaC9H6Cl2N2
Molecular Weight213.07 g/mol
Exact Mass211.99
IUPAC Name4,6-dichloro-1a,7b-dihydro-1H-cyclopropa[h]quinazoline
SMILESClc1nc(Cl)c2c(n1)C1CC1C=C2
InChIInChI=1S/C9H6Cl2N2/c10-8-5-2-1-4-3-6(4)7(5)12-9(11)13-8/h1-2,4,6H,3H2
InChIKeyDOQCFFHNLVTFSZ-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dichloro-5-methyl-6-phenylpyrimidine
CID 12685528
2,4-Dichloro-6-phenyl-5-(propan-2-yl)pyrimidine
CID 10825702
2,4-Dichloro-5-(1-methylethyl)-6-(phenylmethyl)pyrimidine
CID 10826651
4-Benzyl-2,6-dichloro-5-ethylpyrimidine
CID 10683225
4-Benzyl-2,5,6-trichloropyrimidine
CID 134987035
(E)-2,4-dichloro-6-styrylpyrimidine
CID 11064861
2,4-Dichloro-5-ethyl-6-phenylpyrimidine
CID 65711674
2,4-dichloro-6-[(Z)-2-phenylethenyl]pyrimidine
CID 117977482
2,4-dichloro-5-fluoro-7H-cyclopenta[d]pyrimidine
CID 159490222
5-Benzyl-4-chloro-6-methylpyrimidin-2-amine
CID 820238
2,4-Dichloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 12602865
2,4-Dichloro-6-phenethylpyrimidine
CID 22170046

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1a,7b-dihydro-1H-cyclopropa[h]quinazoline?
The IUPAC name of 4,6-dichloro-1a,7b-dihydro-1H-cyclopropa[h]quinazoline (CID 154620284) is 4,6-dichloro-1a,7b-dihydro-1H-cyclopropa[h]quinazoline.
What is the SMILES notation for 4,6-dichloro-1a,7b-dihydro-1H-cyclopropa[h]quinazoline?
The canonical SMILES for 4,6-dichloro-1a,7b-dihydro-1H-cyclopropa[h]quinazoline is Clc1nc(Cl)c2c(n1)C1CC1C=C2.
What is the InChIKey of 4,6-dichloro-1a,7b-dihydro-1H-cyclopropa[h]quinazoline?
The InChIKey is DOQCFFHNLVTFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2/c10-8-5-2-1-4-3-6(4)7(5)12-9(11)13-8/h1-2,4,6H,3H2.
What are the key properties of 4,6-dichloro-1a,7b-dihydro-1H-cyclopropa[h]quinazoline?
4,6-dichloro-1a,7b-dihydro-1H-cyclopropa[h]quinazoline has a molecular weight of 213.07 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1a,7b-dihydro-1H-cyclopropa[h]quinazoline is sourced from PubChem (CID 154620284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).