6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine

C19H25F3N4O2 — CID 21003457

IUPAC6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1cc2nc(C(F)(F)F)nc(NCCCCN3CCCC3)c2cc1OC
InChIInChI=1S/C19H25F3N4O2/c1-27-15-11-13-14(12-16(15)28-2)24-18(19(20,21)22)25-17(13)23-7-3-4-8-26-9-5-6-10-26/h11-12H,3-10H2,1-2H3,(H,23,24,25)
InChIKeyAOAUPWBOZJLYPM-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.95
Rot. Bonds8

About 6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine

6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 21003457) has the molecular formula C19H25F3N4O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID21003457
Molecular FormulaC19H25F3N4O2
Molecular Weight398.43 g/mol
Exact Mass398.19
IUPAC Name6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1cc2nc(C(F)(F)F)nc(NCCCCN3CCCC3)c2cc1OC
InChIInChI=1S/C19H25F3N4O2/c1-27-15-11-13-14(12-16(15)28-2)24-18(19(20,21)22)25-17(13)23-7-3-4-8-26-9-5-6-10-26/h11-12H,3-10H2,1-2H3,(H,23,24,25)
InChIKeyAOAUPWBOZJLYPM-UHFFFAOYSA-N
XLogP3.95
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-difluoroazetidin-1-yl)-6,7-dimethoxy-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine
CID 122191700
6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine
CID 122191704
N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003434
4-[[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid
CID 21003534
N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003392
2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
CID 110433148
N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine
CID 162652644
N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003381
N-[5-(4-ethylpiperazin-1-yl)pentyl]-6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-amine
CID 10229490
4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid
CID 66977902
6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine
CID 10303570
N-butyl-7-methoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 110431380

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine (CID 21003457) is 6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine is COc1cc2nc(C(F)(F)F)nc(NCCCCN3CCCC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is AOAUPWBOZJLYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O2/c1-27-15-11-13-14(12-16(15)28-2)24-18(19(20,21)22)25-17(13)23-7-3-4-8-26-9-5-6-10-26/h11-12H,3-10H2,1-2H3,(H,23,24,25).
What are the key properties of 6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine?
6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 398.43 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 21003457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).