N-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine

C22H17F2N3O2 — CID 67698787

IUPACN-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine
SMILESCOc1cc(Nc2ncnc3ccccc23)ccc1OCc1c(F)cccc1F
InChIInChI=1S/C22H17F2N3O2/c1-28-21-11-14(27-22-15-5-2-3-8-19(15)25-13-26-22)9-10-20(21)29-12-16-17(23)6-4-7-18(16)24/h2-11,13H,12H2,1H3,(H,25,26,27)
InChIKeySXRRYWVZOUZXQN-UHFFFAOYSA-N
MW393.39 g/mol
LogP5.24
Rot. Bonds6

About N-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine

N-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine (PubChem CID 67698787) has the molecular formula C22H17F2N3O2 and a molecular weight of 393.39 g/mol. Its IUPAC name is N-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine
PubChem CID67698787
Molecular FormulaC22H17F2N3O2
Molecular Weight393.39 g/mol
Exact Mass393.13
IUPAC NameN-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine
SMILESCOc1cc(Nc2ncnc3ccccc23)ccc1OCc1c(F)cccc1F
InChIInChI=1S/C22H17F2N3O2/c1-28-21-11-14(27-22-15-5-2-3-8-19(15)25-13-26-22)9-10-20(21)29-12-16-17(23)6-4-7-18(16)24/h2-11,13H,12H2,1H3,(H,25,26,27)
InChIKeySXRRYWVZOUZXQN-UHFFFAOYSA-N
XLogP5.24
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.39
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride
CID 67699153
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
(E)-3-(3,4-dimethoxyphenyl)-1-[3-(quinazolin-4-ylamino)phenyl]prop-2-en-1-one
CID 127045208
N-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435174
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 44523346
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
N-naphthalen-2-ylquinazolin-4-amine
CID 110434772
N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine
CID 12928849
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 36835195
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine?
The IUPAC name of N-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine (CID 67698787) is N-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine.
What is the SMILES notation for N-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine?
The canonical SMILES for N-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine is COc1cc(Nc2ncnc3ccccc23)ccc1OCc1c(F)cccc1F.
What is the InChIKey of N-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine?
The InChIKey is SXRRYWVZOUZXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2/c1-28-21-11-14(27-22-15-5-2-3-8-19(15)25-13-26-22)9-10-20(21)29-12-16-17(23)6-4-7-18(16)24/h2-11,13H,12H2,1H3,(H,25,26,27).
What are the key properties of N-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine?
N-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine has a molecular weight of 393.39 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine is sourced from PubChem (CID 67698787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).