N-(2,5-difluorophenyl)-2-(2,3-dihydropyridin-5-yl)-6-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-amine

C26H22F2N4O — CID 123229571

IUPACN-(2,5-difluorophenyl)-2-(2,3-dihydropyridin-5-yl)-6-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3c(c2)C(Nc2cc(F)ccc2F)=NC(C2=CCCN=C2)N3)c1
InChIInChI=1S/C26H22F2N4O/c1-33-20-6-2-4-16(12-20)17-7-10-23-21(13-17)26(31-24-14-19(27)8-9-22(24)28)32-25(30-23)18-5-3-11-29-15-18/h2,4-10,12-15,25,30H,3,11H2,1H3,(H,31,32)
InChIKeyRXEIJYHOWHAYEH-UHFFFAOYSA-N
MW444.49 g/mol
LogP5.65
Rot. Bonds4

About N-(2,5-difluorophenyl)-2-(2,3-dihydropyridin-5-yl)-6-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-amine

N-(2,5-difluorophenyl)-2-(2,3-dihydropyridin-5-yl)-6-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-amine (PubChem CID 123229571) has the molecular formula C26H22F2N4O and a molecular weight of 444.49 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(2,3-dihydropyridin-5-yl)-6-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(2,3-dihydropyridin-5-yl)-6-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-amine
PubChem CID123229571
Molecular FormulaC26H22F2N4O
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-(2,5-difluorophenyl)-2-(2,3-dihydropyridin-5-yl)-6-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3c(c2)C(Nc2cc(F)ccc2F)=NC(C2=CCCN=C2)N3)c1
InChIInChI=1S/C26H22F2N4O/c1-33-20-6-2-4-16(12-20)17-7-10-23-21(13-17)26(31-24-14-19(27)8-9-22(24)28)32-25(30-23)18-5-3-11-29-15-18/h2,4-10,12-15,25,30H,3,11H2,1H3,(H,31,32)
InChIKeyRXEIJYHOWHAYEH-UHFFFAOYSA-N
XLogP5.65
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-Fluoro-5-methoxyphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10157883
3'-[3-(3-methoxyphenyl)phenyl]spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;2,2,2-trifluoroacetic acid
CID 16730131
1'-[3-(3-methoxyphenyl)phenyl]spiro[1H-quinazoline-2,3'-cyclohexene]-4-amine;2,2,2-trifluoroacetic acid
CID 16730133
2-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-2-methyl-1H-quinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 16731088
2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1H-quinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 16731159
2-[2-[3-(3-Methoxyphenyl)phenyl]ethyl]-1,2-dimethylquinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 16731167
2-[3-[[4-[6-[3-(4-aminobutyl)-5-(trifluoromethoxy)phenyl]-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]methylamino]propyl]guanidine
CID 66582059
[4-Amino-2-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-2-methylquinazolin-1-yl] 2,2,2-trifluoroacetate
CID 69272684
[4-Amino-2-[3-(3-methoxyphenyl)phenyl]-2-methylquinazolin-1-yl] 2,2,2-trifluoroacetate
CID 69276541
6-[5-[(4S)-4-aminopentyl]-2-fluoro-3-(trifluoromethoxy)phenyl]-3-[4-[(1R)-1-(3-aminopropylamino)ethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 91663306
6-[5-[(4S)-4-aminopentyl]-2-fluoro-3-(trifluoromethoxy)phenyl]-3-[4-[(1R)-1,3-diaminopropyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 122428269
2-[(3R)-1-[[(1S)-1-[4-[6-[5-[(4S)-4-aminopentyl]-2-fluoro-3-(trifluoromethoxy)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]ethyl]amino]-5-phenylpentan-3-yl]guanidine
CID 122428369

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(2,3-dihydropyridin-5-yl)-6-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-amine?
The IUPAC name of N-(2,5-difluorophenyl)-2-(2,3-dihydropyridin-5-yl)-6-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-amine (CID 123229571) is N-(2,5-difluorophenyl)-2-(2,3-dihydropyridin-5-yl)-6-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-amine.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(2,3-dihydropyridin-5-yl)-6-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-amine?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(2,3-dihydropyridin-5-yl)-6-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-amine is COc1cccc(-c2ccc3c(c2)C(Nc2cc(F)ccc2F)=NC(C2=CCCN=C2)N3)c1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(2,3-dihydropyridin-5-yl)-6-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-amine?
The InChIKey is RXEIJYHOWHAYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O/c1-33-20-6-2-4-16(12-20)17-7-10-23-21(13-17)26(31-24-14-19(27)8-9-22(24)28)32-25(30-23)18-5-3-11-29-15-18/h2,4-10,12-15,25,30H,3,11H2,1H3,(H,31,32).
What are the key properties of N-(2,5-difluorophenyl)-2-(2,3-dihydropyridin-5-yl)-6-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-amine?
N-(2,5-difluorophenyl)-2-(2,3-dihydropyridin-5-yl)-6-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-amine has a molecular weight of 444.49 g/mol, XLogP of 5.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(2,3-dihydropyridin-5-yl)-6-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-amine is sourced from PubChem (CID 123229571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).