2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine

C22H24F2N4O — CID 56553723

IUPAC2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine
SMILESCOc1ccccc1C(CNc1nc(C(F)F)nc2ccccc12)N1CCCC1
InChIInChI=1S/C22H24F2N4O/c1-29-19-11-5-3-9-16(19)18(28-12-6-7-13-28)14-25-21-15-8-2-4-10-17(15)26-22(27-21)20(23)24/h2-5,8-11,18,20H,6-7,12-14H2,1H3,(H,25,26,27)
InChIKeyPVEDAYMIABZGFU-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.82
Rot. Bonds7

About 2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine

2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine (PubChem CID 56553723) has the molecular formula C22H24F2N4O and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine
PubChem CID56553723
Molecular FormulaC22H24F2N4O
Molecular Weight398.46 g/mol
Exact Mass398.19
IUPAC Name2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine
SMILESCOc1ccccc1C(CNc1nc(C(F)F)nc2ccccc12)N1CCCC1
InChIInChI=1S/C22H24F2N4O/c1-29-19-11-5-3-9-16(19)18(28-12-6-7-13-28)14-25-21-15-8-2-4-10-17(15)26-22(27-21)20(23)24/h2-5,8-11,18,20H,6-7,12-14H2,1H3,(H,25,26,27)
InChIKeyPVEDAYMIABZGFU-UHFFFAOYSA-N
XLogP4.82
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine
CID 133370616
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyridin-2-amine
CID 133481541
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 8023171
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 8023168
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133319501
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969828
1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 56574079
2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133382457
2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide
CID 133319504
N'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 133306764
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 26012673
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 92813665

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine?
The IUPAC name of 2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine (CID 56553723) is 2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine is COc1ccccc1C(CNc1nc(C(F)F)nc2ccccc12)N1CCCC1.
What is the InChIKey of 2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine?
The InChIKey is PVEDAYMIABZGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O/c1-29-19-11-5-3-9-16(19)18(28-12-6-7-13-28)14-25-21-15-8-2-4-10-17(15)26-22(27-21)20(23)24/h2-5,8-11,18,20H,6-7,12-14H2,1H3,(H,25,26,27).
What are the key properties of 2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine?
2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine has a molecular weight of 398.46 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine is sourced from PubChem (CID 56553723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).