ethane;4-(3-fluoroazetidin-1-yl)-N-[(6-fluoro-3-pyridinyl)methyl]-6-methoxyquinazolin-2-amine

C20H23F2N5O — CID 178089580

IUPACethane;4-(3-fluoroazetidin-1-yl)-N-[(6-fluoro-3-pyridinyl)methyl]-6-methoxyquinazolin-2-amine
SMILESCC.COc1ccc2nc(NCc3ccc(F)nc3)nc(N3CC(F)C3)c2c1
InChIInChI=1S/C18H17F2N5O.C2H6/c1-26-13-3-4-15-14(6-13)17(25-9-12(19)10-25)24-18(23-15)22-8-11-2-5-16(20)21-7-11;1-2/h2-7,12H,8-10H2,1H3,(H,22,23,24);1-2H3
InChIKeyPBRYPGIHXRWACN-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.97
Rot. Bonds5

About ethane;4-(3-fluoroazetidin-1-yl)-N-[(6-fluoro-3-pyridinyl)methyl]-6-methoxyquinazolin-2-amine

ethane;4-(3-fluoroazetidin-1-yl)-N-[(6-fluoro-3-pyridinyl)methyl]-6-methoxyquinazolin-2-amine (PubChem CID 178089580) has the molecular formula C20H23F2N5O and a molecular weight of 387.43 g/mol. Its IUPAC name is ethane;4-(3-fluoroazetidin-1-yl)-N-[(6-fluoro-3-pyridinyl)methyl]-6-methoxyquinazolin-2-amine.

Molecular Properties

Compound Nameethane;4-(3-fluoroazetidin-1-yl)-N-[(6-fluoro-3-pyridinyl)methyl]-6-methoxyquinazolin-2-amine
PubChem CID178089580
Molecular FormulaC20H23F2N5O
Molecular Weight387.43 g/mol
Exact Mass387.19
IUPAC Nameethane;4-(3-fluoroazetidin-1-yl)-N-[(6-fluoro-3-pyridinyl)methyl]-6-methoxyquinazolin-2-amine
SMILESCC.COc1ccc2nc(NCc3ccc(F)nc3)nc(N3CC(F)C3)c2c1
InChIInChI=1S/C18H17F2N5O.C2H6/c1-26-13-3-4-15-14(6-13)17(25-9-12(19)10-25)24-18(23-15)22-8-11-2-5-16(20)21-7-11;1-2/h2-7,12H,8-10H2,1H3,(H,22,23,24);1-2H3
InChIKeyPBRYPGIHXRWACN-UHFFFAOYSA-N
XLogP3.97
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethane;4-(3-fluoroazetidin-1-yl)-N-[(6-fluoro-3-pyridinyl)methyl]-6-methoxyquinazolin-2-amine with MolForge

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Related Compounds

ethane;N-[(6-fluoro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)azetidin-1-yl]quinazolin-2-amine
CID 178089561
2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885
tert-butyl N-[(1R,2S)-2-[[6-methoxy-2-[(4-methoxyphenyl)methylamino]quinazolin-4-yl]amino]cyclohexyl]carbamate
CID 69022148
N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine
CID 166633819
N-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine
CID 178089518
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine
CID 166627540
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine
CID 135395442
3-fluoro-7-methoxyisoquinoline
CID 131700060
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 115620538
N-[(3-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-6-amine
CID 67544800
N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 10710689

Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-fluoroazetidin-1-yl)-N-[(6-fluoro-3-pyridinyl)methyl]-6-methoxyquinazolin-2-amine?
The IUPAC name of ethane;4-(3-fluoroazetidin-1-yl)-N-[(6-fluoro-3-pyridinyl)methyl]-6-methoxyquinazolin-2-amine (CID 178089580) is ethane;4-(3-fluoroazetidin-1-yl)-N-[(6-fluoro-3-pyridinyl)methyl]-6-methoxyquinazolin-2-amine.
What is the SMILES notation for ethane;4-(3-fluoroazetidin-1-yl)-N-[(6-fluoro-3-pyridinyl)methyl]-6-methoxyquinazolin-2-amine?
The canonical SMILES for ethane;4-(3-fluoroazetidin-1-yl)-N-[(6-fluoro-3-pyridinyl)methyl]-6-methoxyquinazolin-2-amine is CC.COc1ccc2nc(NCc3ccc(F)nc3)nc(N3CC(F)C3)c2c1.
What is the InChIKey of ethane;4-(3-fluoroazetidin-1-yl)-N-[(6-fluoro-3-pyridinyl)methyl]-6-methoxyquinazolin-2-amine?
The InChIKey is PBRYPGIHXRWACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O.C2H6/c1-26-13-3-4-15-14(6-13)17(25-9-12(19)10-25)24-18(23-15)22-8-11-2-5-16(20)21-7-11;1-2/h2-7,12H,8-10H2,1H3,(H,22,23,24);1-2H3.
What are the key properties of ethane;4-(3-fluoroazetidin-1-yl)-N-[(6-fluoro-3-pyridinyl)methyl]-6-methoxyquinazolin-2-amine?
ethane;4-(3-fluoroazetidin-1-yl)-N-[(6-fluoro-3-pyridinyl)methyl]-6-methoxyquinazolin-2-amine has a molecular weight of 387.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-fluoroazetidin-1-yl)-N-[(6-fluoro-3-pyridinyl)methyl]-6-methoxyquinazolin-2-amine is sourced from PubChem (CID 178089580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).