N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine

C22H27FN4O — CID 155728509

IUPACN',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1ncnc2c(OC)cc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C22H27FN4O/c1-4-27(5-2)12-6-11-24-22-19-13-17(16-7-9-18(23)10-8-16)14-20(28-3)21(19)25-15-26-22/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,25,26)
InChIKeyMIRDBDCKHHIXRG-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.59
Rot. Bonds9

About N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine

N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine (PubChem CID 155728509) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine
PubChem CID155728509
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC NameN',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1ncnc2c(OC)cc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C22H27FN4O/c1-4-27(5-2)12-6-11-24-22-19-13-17(16-7-9-18(23)10-8-16)14-20(28-3)21(19)25-15-26-22/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,25,26)
InChIKeyMIRDBDCKHHIXRG-UHFFFAOYSA-N
XLogP4.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloropyrimidin-2-yl)methyl]-6-(4-fluorophenyl)-8-methoxyquinazolin-4-amine
CID 155728512
6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine
CID 155340253
6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 155728566
(2E)-3-[[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]methyl]penta-2,4-dienethial
CID 155364863
N-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(4-fluorophenyl)-8-methoxyquinazolin-4-amine
CID 155364757
N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine
CID 21003124
N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 110430335
2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol
CID 155340172
N-(6,7-dimethoxyquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 21002974
N-[4-[(Z)-but-2-en-2-yl]imino-2,5-dimethylheptan-3-yl]-6-(4-fluorophenyl)-8-methoxyquinazolin-4-amine
CID 155728403
N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine
CID 57412102
N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine
CID 110431423

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine (CID 155728509) is N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine is CCN(CC)CCCNc1ncnc2c(OC)cc(-c3ccc(F)cc3)cc12.
What is the InChIKey of N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine?
The InChIKey is MIRDBDCKHHIXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-4-27(5-2)12-6-11-24-22-19-13-17(16-7-9-18(23)10-8-16)14-20(28-3)21(19)25-15-26-22/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,25,26).
What are the key properties of N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine?
N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine has a molecular weight of 382.48 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 155728509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).