3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline

C22H25ClFN3 — CID 70024806

IUPAC3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline
SMILESFc1ccc2c(c1)CN(CCCN1CC=C(c3ccc(Cl)cc3)CC1)CN2
InChIInChI=1S/C22H25ClFN3/c23-20-4-2-17(3-5-20)18-8-12-26(13-9-18)10-1-11-27-15-19-14-21(24)6-7-22(19)25-16-27/h2-8,14,25H,1,9-13,15-16H2
InChIKeyRRDQAZWDBUNAKH-UHFFFAOYSA-N
MW385.91 g/mol
LogP4.84
Rot. Bonds5

About 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline

3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline (PubChem CID 70024806) has the molecular formula C22H25ClFN3 and a molecular weight of 385.91 g/mol. Its IUPAC name is 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline.

Molecular Properties

Compound Name3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline
PubChem CID70024806
Molecular FormulaC22H25ClFN3
Molecular Weight385.91 g/mol
Exact Mass385.17
IUPAC Name3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline
SMILESFc1ccc2c(c1)CN(CCCN1CC=C(c3ccc(Cl)cc3)CC1)CN2
InChIInChI=1S/C22H25ClFN3/c23-20-4-2-17(3-5-20)18-8-12-26(13-9-18)10-1-11-27-15-19-14-21(24)6-7-22(19)25-16-27/h2-8,14,25H,1,9-13,15-16H2
InChIKeyRRDQAZWDBUNAKH-UHFFFAOYSA-N
XLogP4.84
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.91
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline?
The IUPAC name of 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline (CID 70024806) is 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline.
What is the SMILES notation for 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline?
The canonical SMILES for 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline is Fc1ccc2c(c1)CN(CCCN1CC=C(c3ccc(Cl)cc3)CC1)CN2.
What is the InChIKey of 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline?
The InChIKey is RRDQAZWDBUNAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3/c23-20-4-2-17(3-5-20)18-8-12-26(13-9-18)10-1-11-27-15-19-14-21(24)6-7-22(19)25-16-27/h2-8,14,25H,1,9-13,15-16H2.
What are the key properties of 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline?
3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline has a molecular weight of 385.91 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline is sourced from PubChem (CID 70024806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).