3-[[cyclopropylmethyl-(5-fluoroquinazolin-4-yl)amino]methyl]phenol

C19H18FN3O — CID 71845605

IUPAC3-[[cyclopropylmethyl-(5-fluoroquinazolin-4-yl)amino]methyl]phenol
SMILESOc1cccc(CN(CC2CC2)c2ncnc3cccc(F)c23)c1
InChIInChI=1S/C19H18FN3O/c20-16-5-2-6-17-18(16)19(22-12-21-17)23(10-13-7-8-13)11-14-3-1-4-15(24)9-14/h1-6,9,12-13,24H,7-8,10-11H2
InChIKeyABGBMAXCIZYIKZ-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.89
Rot. Bonds5

About 3-[[cyclopropylmethyl-(5-fluoroquinazolin-4-yl)amino]methyl]phenol

3-[[cyclopropylmethyl-(5-fluoroquinazolin-4-yl)amino]methyl]phenol (PubChem CID 71845605) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-[[cyclopropylmethyl-(5-fluoroquinazolin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[cyclopropylmethyl-(5-fluoroquinazolin-4-yl)amino]methyl]phenol
PubChem CID71845605
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name3-[[cyclopropylmethyl-(5-fluoroquinazolin-4-yl)amino]methyl]phenol
SMILESOc1cccc(CN(CC2CC2)c2ncnc3cccc(F)c23)c1
InChIInChI=1S/C19H18FN3O/c20-16-5-2-6-17-18(16)19(22-12-21-17)23(10-13-7-8-13)11-14-3-1-4-15(24)9-14/h1-6,9,12-13,24H,7-8,10-11H2
InChIKeyABGBMAXCIZYIKZ-UHFFFAOYSA-N
XLogP3.89
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-(Benzylamino)quinazolin-2-yl)phenol
CID 915456
4-[(2-Phenyl-4-quinazolinyl)amino]phenol
CID 693198
2-{4-[(Pyridin-3-ylmethyl)-amino]-quinazolin-2-yl}-phenol
CID 935994
4-[[2-(2-Fluorophenyl)quinazolin-4-yl]amino]phenol
CID 2174842
2-[4-(1-Pyrrolidinyl)-2-quinazolinyl]phenol
CID 781262
Quinazolin-6-ol
CID 589643
4-[[4-(4-Methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol;hydrochloride
CID 2929712
N-benzyl-6-methoxyquinazolin-4-amine
CID 5328029
4-(4-Pyrrolidin-1-yl-quinazolin-2-ylamino)-phenol
CID 6602552
2-(4-(4-Methylpiperidin-1-yl)quinazolin-2-yl)phenol
CID 710985
2-(4-Fluoro-2-methyl-phenylamino)-4-(methyl-phenyl-amino)-quinazolin-8-ol
CID 10044934
4-(Methyl-phenyl-amino)-2-o-tolylamino-quinazolin-6-ol
CID 10405976

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropylmethyl-(5-fluoroquinazolin-4-yl)amino]methyl]phenol?
The IUPAC name of 3-[[cyclopropylmethyl-(5-fluoroquinazolin-4-yl)amino]methyl]phenol (CID 71845605) is 3-[[cyclopropylmethyl-(5-fluoroquinazolin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[cyclopropylmethyl-(5-fluoroquinazolin-4-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[cyclopropylmethyl-(5-fluoroquinazolin-4-yl)amino]methyl]phenol is Oc1cccc(CN(CC2CC2)c2ncnc3cccc(F)c23)c1.
What is the InChIKey of 3-[[cyclopropylmethyl-(5-fluoroquinazolin-4-yl)amino]methyl]phenol?
The InChIKey is ABGBMAXCIZYIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-16-5-2-6-17-18(16)19(22-12-21-17)23(10-13-7-8-13)11-14-3-1-4-15(24)9-14/h1-6,9,12-13,24H,7-8,10-11H2.
What are the key properties of 3-[[cyclopropylmethyl-(5-fluoroquinazolin-4-yl)amino]methyl]phenol?
3-[[cyclopropylmethyl-(5-fluoroquinazolin-4-yl)amino]methyl]phenol has a molecular weight of 323.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropylmethyl-(5-fluoroquinazolin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 71845605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).