2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine

C25H29FN4O — CID 118610314

IUPAC2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine
SMILESCOc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)C)cc23)CC1
InChIInChI=1S/C25H29FN4O/c1-29(2)18-8-9-21-20(16-18)23(28-24(27-21)25(26)12-13-25)30-14-10-17(11-15-30)19-6-4-5-7-22(19)31-3/h4-9,16-17H,10-15H2,1-3H3
InChIKeyKVJNSWIBANBSKY-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.05
Rot. Bonds5

About 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine

2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine (PubChem CID 118610314) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine.

Molecular Properties

Compound Name2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine
PubChem CID118610314
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC Name2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine
SMILESCOc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)C)cc23)CC1
InChIInChI=1S/C25H29FN4O/c1-29(2)18-8-9-21-20(16-18)23(28-24(27-21)25(26)12-13-25)30-14-10-17(11-15-30)19-6-4-5-7-22(19)31-3/h4-9,16-17H,10-15H2,1-3H3
InChIKeyKVJNSWIBANBSKY-UHFFFAOYSA-N
XLogP5.05
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine?
The IUPAC name of 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine (CID 118610314) is 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine.
What is the SMILES notation for 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine?
The canonical SMILES for 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine is COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)C)cc23)CC1.
What is the InChIKey of 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine?
The InChIKey is KVJNSWIBANBSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c1-29(2)18-8-9-21-20(16-18)23(28-24(27-21)25(26)12-13-25)30-14-10-17(11-15-30)19-6-4-5-7-22(19)31-3/h4-9,16-17H,10-15H2,1-3H3.
What are the key properties of 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine?
2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine has a molecular weight of 420.53 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine is sourced from PubChem (CID 118610314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).