4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol

C16H18FN3O — CID 136813751

IUPAC4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol
SMILESCCNc1nc(-c2ccc(O)c(F)c2)nc2c1CCCC2
InChIInChI=1S/C16H18FN3O/c1-2-18-16-11-5-3-4-6-13(11)19-15(20-16)10-7-8-14(21)12(17)9-10/h7-9,21H,2-6H2,1H3,(H,18,19,20)
InChIKeyXORDUKMLZRTMQQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.30
Rot. Bonds3

About 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol

4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol (PubChem CID 136813751) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol
PubChem CID136813751
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol
SMILESCCNc1nc(-c2ccc(O)c(F)c2)nc2c1CCCC2
InChIInChI=1S/C16H18FN3O/c1-2-18-16-11-5-3-4-6-13(11)19-15(20-16)10-7-8-14(21)12(17)9-10/h7-9,21H,2-6H2,1H3,(H,18,19,20)
InChIKeyXORDUKMLZRTMQQ-UHFFFAOYSA-N
XLogP3.30
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol
CID 136813750
2-(3-chloro-4-fluorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63485428
2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63480001
2-(3,5-difluorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191823
2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66479077
3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol
CID 62202491
4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol
CID 136927531
2-(3-chlorophenyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486503
2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 81442117
N-ethyl-2-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63485255
2-[3-(difluoromethyl)phenyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 115528426
2-(4-chloro-3-fluorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472729

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol?
The IUPAC name of 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol (CID 136813751) is 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol.
What is the SMILES notation for 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol?
The canonical SMILES for 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol is CCNc1nc(-c2ccc(O)c(F)c2)nc2c1CCCC2.
What is the InChIKey of 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol?
The InChIKey is XORDUKMLZRTMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-18-16-11-5-3-4-6-13(11)19-15(20-16)10-7-8-14(21)12(17)9-10/h7-9,21H,2-6H2,1H3,(H,18,19,20).
What are the key properties of 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol?
4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol has a molecular weight of 287.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol is sourced from PubChem (CID 136813751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).