7-(5-ethyl-2,3-difluorocyclohexa-1,5-dien-1-yl)-N-methyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-6,7-dihydroquinazolin-4-amine

C22H26F2N4 — CID 135128133

IUPAC7-(5-ethyl-2,3-difluorocyclohexa-1,5-dien-1-yl)-N-methyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-6,7-dihydroquinazolin-4-amine
SMILESCCC1=CC(C2C=c3nc(C4C=NCCC4)nc(NC)c3=CC2)=C(F)C(F)C1
InChIInChI=1S/C22H26F2N4/c1-3-13-9-17(20(24)18(23)10-13)14-6-7-16-19(11-14)27-21(28-22(16)25-2)15-5-4-8-26-12-15/h7,9,11-12,14-15,18H,3-6,8,10H2,1-2H3,(H,25,27,28)
InChIKeyQQUXWOHSFHKIFM-UHFFFAOYSA-N
MW384.47 g/mol
LogP3.35
Rot. Bonds4

About 7-(5-ethyl-2,3-difluorocyclohexa-1,5-dien-1-yl)-N-methyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-6,7-dihydroquinazolin-4-amine

7-(5-ethyl-2,3-difluorocyclohexa-1,5-dien-1-yl)-N-methyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-6,7-dihydroquinazolin-4-amine (PubChem CID 135128133) has the molecular formula C22H26F2N4 and a molecular weight of 384.47 g/mol. Its IUPAC name is 7-(5-ethyl-2,3-difluorocyclohexa-1,5-dien-1-yl)-N-methyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-6,7-dihydroquinazolin-4-amine.

Molecular Properties

Compound Name7-(5-ethyl-2,3-difluorocyclohexa-1,5-dien-1-yl)-N-methyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-6,7-dihydroquinazolin-4-amine
PubChem CID135128133
Molecular FormulaC22H26F2N4
Molecular Weight384.47 g/mol
Exact Mass384.21
IUPAC Name7-(5-ethyl-2,3-difluorocyclohexa-1,5-dien-1-yl)-N-methyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-6,7-dihydroquinazolin-4-amine
SMILESCCC1=CC(C2C=c3nc(C4C=NCCC4)nc(NC)c3=CC2)=C(F)C(F)C1
InChIInChI=1S/C22H26F2N4/c1-3-13-9-17(20(24)18(23)10-13)14-6-7-16-19(11-14)27-21(28-22(16)25-2)15-5-4-8-26-12-15/h7,9,11-12,14-15,18H,3-6,8,10H2,1-2H3,(H,25,27,28)
InChIKeyQQUXWOHSFHKIFM-UHFFFAOYSA-N
XLogP3.35
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(5-ethyl-2,3-difluorocyclohexa-1,5-dien-1-yl)-N-methyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-6,7-dihydroquinazolin-4-amine with MolForge

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Related Compounds

7-[5-(2,2-difluoroethyl)cyclohepta-1,6-dien-1-yl]-N-methyl-2,3-dihydropyrido[3,4-b]pyrazin-5-amine
CID 132038673
2-(3,4-Dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine
CID 135127970
N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-4-amine
CID 135128128
1-N-ethyl-3-N-[6-(2-fluoro-5-methylcyclopenta-1,3-dien-1-yl)-6,7-dihydroquinazolin-8-yl]pentane-1,3-diamine
CID 156342331
2-(3,4-dihydropyridin-3-yl)-6-(2,3-dimethylcyclohexa-2,4-dien-1-yl)-N-methyl-6,7-dihydroquinazolin-4-amine
CID 135128003

Frequently Asked Questions

What is the IUPAC name of 7-(5-ethyl-2,3-difluorocyclohexa-1,5-dien-1-yl)-N-methyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-6,7-dihydroquinazolin-4-amine?
The IUPAC name of 7-(5-ethyl-2,3-difluorocyclohexa-1,5-dien-1-yl)-N-methyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-6,7-dihydroquinazolin-4-amine (CID 135128133) is 7-(5-ethyl-2,3-difluorocyclohexa-1,5-dien-1-yl)-N-methyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-6,7-dihydroquinazolin-4-amine.
What is the SMILES notation for 7-(5-ethyl-2,3-difluorocyclohexa-1,5-dien-1-yl)-N-methyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-6,7-dihydroquinazolin-4-amine?
The canonical SMILES for 7-(5-ethyl-2,3-difluorocyclohexa-1,5-dien-1-yl)-N-methyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-6,7-dihydroquinazolin-4-amine is CCC1=CC(C2C=c3nc(C4C=NCCC4)nc(NC)c3=CC2)=C(F)C(F)C1.
What is the InChIKey of 7-(5-ethyl-2,3-difluorocyclohexa-1,5-dien-1-yl)-N-methyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-6,7-dihydroquinazolin-4-amine?
The InChIKey is QQUXWOHSFHKIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4/c1-3-13-9-17(20(24)18(23)10-13)14-6-7-16-19(11-14)27-21(28-22(16)25-2)15-5-4-8-26-12-15/h7,9,11-12,14-15,18H,3-6,8,10H2,1-2H3,(H,25,27,28).
What are the key properties of 7-(5-ethyl-2,3-difluorocyclohexa-1,5-dien-1-yl)-N-methyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-6,7-dihydroquinazolin-4-amine?
7-(5-ethyl-2,3-difluorocyclohexa-1,5-dien-1-yl)-N-methyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-6,7-dihydroquinazolin-4-amine has a molecular weight of 384.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-ethyl-2,3-difluorocyclohexa-1,5-dien-1-yl)-N-methyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-6,7-dihydroquinazolin-4-amine is sourced from PubChem (CID 135128133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).