4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline

C17H15ClN2 — CID 20604133

IUPAC4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline
SMILESClC1N=C(C2CC2c2ccccc2)Nc2ccccc21
InChIInChI=1S/C17H15ClN2/c18-16-12-8-4-5-9-15(12)19-17(20-16)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14,16H,10H2,(H,19,20)
InChIKeyFHAVAPCQFDTYEU-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.55
Rot. Bonds2

About 4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline

4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline (PubChem CID 20604133) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline
PubChem CID20604133
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline
SMILESClC1N=C(C2CC2c2ccccc2)Nc2ccccc21
InChIInChI=1S/C17H15ClN2/c18-16-12-8-4-5-9-15(12)19-17(20-16)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14,16H,10H2,(H,19,20)
InChIKeyFHAVAPCQFDTYEU-UHFFFAOYSA-N
XLogP4.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole
CID 145111128
1-chloro-4-(2-phenylcyclopropyl)benzene
CID 5162571
3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine
CID 169288678
2-[(1S,2R)-2-phenylcyclopropyl]pyridine
CID 124647097
4-[(1R,2S)-2-phenylcyclopropyl]benzoic acid
CID 138543180
9,10-dihydroacridine;9-phenyl-9,10-dihydroacridine
CID 158876526
1,1-dimethyl-2-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)hydrazine
CID 13339259
3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
CID 90311127
methyl 2-(2-phenylcyclopropyl)benzoate
CID 54447263
5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine
CID 103977352
3-phenyl-3,3a,5,10-tetrahydro-2H-pyrrolo[2,3-b][1]benzazepin-4-one
CID 58396151
2-methyl-1,4-dihydroquinazolin-4-ol
CID 139473177

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline?
The IUPAC name of 4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline (CID 20604133) is 4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline.
What is the SMILES notation for 4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline?
The canonical SMILES for 4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline is ClC1N=C(C2CC2c2ccccc2)Nc2ccccc21.
What is the InChIKey of 4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline?
The InChIKey is FHAVAPCQFDTYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c18-16-12-8-4-5-9-15(12)19-17(20-16)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14,16H,10H2,(H,19,20).
What are the key properties of 4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline?
4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline has a molecular weight of 282.77 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline is sourced from PubChem (CID 20604133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).