7-(3-aminopropyl)-2-cyclohexyl-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine

C25H38FN5 — CID 155516671

IUPAC7-(3-aminopropyl)-2-cyclohexyl-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
SMILESCC(C)N1CCC(Nc2nc(C3CCCCC3)nc3cc(CCCN)c(F)cc23)CC1
InChIInChI=1S/C25H38FN5/c1-17(2)31-13-10-20(11-14-31)28-25-21-16-22(26)19(9-6-12-27)15-23(21)29-24(30-25)18-7-4-3-5-8-18/h15-18,20H,3-14,27H2,1-2H3,(H,28,29,30)
InChIKeyAEHMIDCCBATRIE-UHFFFAOYSA-N
MW427.61 g/mol
LogP4.99
Rot. Bonds7

About 7-(3-aminopropyl)-2-cyclohexyl-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine

7-(3-aminopropyl)-2-cyclohexyl-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine (PubChem CID 155516671) has the molecular formula C25H38FN5 and a molecular weight of 427.61 g/mol. Its IUPAC name is 7-(3-aminopropyl)-2-cyclohexyl-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name7-(3-aminopropyl)-2-cyclohexyl-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
PubChem CID155516671
Molecular FormulaC25H38FN5
Molecular Weight427.61 g/mol
Exact Mass427.31
IUPAC Name7-(3-aminopropyl)-2-cyclohexyl-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
SMILESCC(C)N1CCC(Nc2nc(C3CCCCC3)nc3cc(CCCN)c(F)cc23)CC1
InChIInChI=1S/C25H38FN5/c1-17(2)31-13-10-20(11-14-31)28-25-21-16-22(26)19(9-6-12-27)15-23(21)29-24(30-25)18-7-4-3-5-8-18/h15-18,20H,3-14,27H2,1-2H3,(H,28,29,30)
InChIKeyAEHMIDCCBATRIE-UHFFFAOYSA-N
XLogP4.99
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopropyl)-2-cyclohexyl-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine?
The IUPAC name of 7-(3-aminopropyl)-2-cyclohexyl-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine (CID 155516671) is 7-(3-aminopropyl)-2-cyclohexyl-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine.
What is the SMILES notation for 7-(3-aminopropyl)-2-cyclohexyl-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine?
The canonical SMILES for 7-(3-aminopropyl)-2-cyclohexyl-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine is CC(C)N1CCC(Nc2nc(C3CCCCC3)nc3cc(CCCN)c(F)cc23)CC1.
What is the InChIKey of 7-(3-aminopropyl)-2-cyclohexyl-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine?
The InChIKey is AEHMIDCCBATRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38FN5/c1-17(2)31-13-10-20(11-14-31)28-25-21-16-22(26)19(9-6-12-27)15-23(21)29-24(30-25)18-7-4-3-5-8-18/h15-18,20H,3-14,27H2,1-2H3,(H,28,29,30).
What are the key properties of 7-(3-aminopropyl)-2-cyclohexyl-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine?
7-(3-aminopropyl)-2-cyclohexyl-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine has a molecular weight of 427.61 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopropyl)-2-cyclohexyl-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine is sourced from PubChem (CID 155516671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).