N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide

C24H32F3N5O — CID 58562468

IUPACN-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
SMILESCCC(N)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C24H32F3N5O/c1-2-20(28)15-3-6-18(7-4-15)32-12-17(13-32)31-23(33)10-9-22-19-11-16(24(25,26)27)5-8-21(19)29-14-30-22/h5,8,11,14-15,17-18,20H,2-4,6-7,9-10,12-13,28H2,1H3,(H,31,33)
InChIKeyUDXUFBCMOAPNIP-UHFFFAOYSA-N
MW463.55 g/mol
LogP3.68
Rot. Bonds7

About N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide

N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide (PubChem CID 58562468) has the molecular formula C24H32F3N5O and a molecular weight of 463.55 g/mol. Its IUPAC name is N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
PubChem CID58562468
Molecular FormulaC24H32F3N5O
Molecular Weight463.55 g/mol
Exact Mass463.26
IUPAC NameN-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
SMILESCCC(N)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C24H32F3N5O/c1-2-20(28)15-3-6-18(7-4-15)32-12-17(13-32)31-23(33)10-9-22-19-11-16(24(25,26)27)5-8-21(19)29-14-30-22/h5,8,11,14-15,17-18,20H,2-4,6-7,9-10,12-13,28H2,1H3,(H,31,33)
InChIKeyUDXUFBCMOAPNIP-UHFFFAOYSA-N
XLogP3.68
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide?
The IUPAC name of N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide (CID 58562468) is N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide.
What is the SMILES notation for N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide?
The canonical SMILES for N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide is CCC(N)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.
What is the InChIKey of N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide?
The InChIKey is UDXUFBCMOAPNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N5O/c1-2-20(28)15-3-6-18(7-4-15)32-12-17(13-32)31-23(33)10-9-22-19-11-16(24(25,26)27)5-8-21(19)29-14-30-22/h5,8,11,14-15,17-18,20H,2-4,6-7,9-10,12-13,28H2,1H3,(H,31,33).
What are the key properties of N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide?
N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide has a molecular weight of 463.55 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide is sourced from PubChem (CID 58562468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).