6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine

C14H18F2N4O2 — CID 87867120

IUPAC6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(N(F)F)c2cc1OCCCN(C)C
InChIInChI=1S/C14H18F2N4O2/c1-19(2)5-4-6-22-13-7-10-11(8-12(13)21-3)17-9-18-14(10)20(15)16/h7-9H,4-6H2,1-3H3
InChIKeyGHMVZCXMBKOKCX-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.54
Rot. Bonds7

About 6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine

6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine (PubChem CID 87867120) has the molecular formula C14H18F2N4O2 and a molecular weight of 312.32 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine
PubChem CID87867120
Molecular FormulaC14H18F2N4O2
Molecular Weight312.32 g/mol
Exact Mass312.14
IUPAC Name6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(N(F)F)c2cc1OCCCN(C)C
InChIInChI=1S/C14H18F2N4O2/c1-19(2)5-4-6-22-13-7-10-11(8-12(13)21-3)17-9-18-14(10)20(15)16/h7-9H,4-6H2,1-3H3
InChIKeyGHMVZCXMBKOKCX-UHFFFAOYSA-N
XLogP2.54
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine
CID 149497994
N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077494
N'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 133492287
4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077498
N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine
CID 110194317
N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide
CID 10204016
7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline
CID 86761073
4-bromo-6-butoxy-7-methoxyquinazoline
CID 177191947
3-(6-methoxyquinolin-7-yl)oxy-N,N-dimethylpropan-1-amine
CID 76540190
6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 171702605
N-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine
CID 57300434

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine?
The IUPAC name of 6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine (CID 87867120) is 6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine.
What is the SMILES notation for 6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine?
The canonical SMILES for 6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine is COc1cc2ncnc(N(F)F)c2cc1OCCCN(C)C.
What is the InChIKey of 6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine?
The InChIKey is GHMVZCXMBKOKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O2/c1-19(2)5-4-6-22-13-7-10-11(8-12(13)21-3)17-9-18-14(10)20(15)16/h7-9H,4-6H2,1-3H3.
What are the key properties of 6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine?
6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine has a molecular weight of 312.32 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine is sourced from PubChem (CID 87867120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).