N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine

C19H21N3O — CID 112843843

IUPACN,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine
SMILESCc1ccc2ncnc(N(C)CCCOc3ccccc3)c2c1
InChIInChI=1S/C19H21N3O/c1-15-9-10-18-17(13-15)19(21-14-20-18)22(2)11-6-12-23-16-7-4-3-5-8-16/h3-5,7-10,13-14H,6,11-12H2,1-2H3
InChIKeyNXUAAWBFZCHGQP-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.84
Rot. Bonds6

About N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine

N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine (PubChem CID 112843843) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine
PubChem CID112843843
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine
SMILESCc1ccc2ncnc(N(C)CCCOc3ccccc3)c2c1
InChIInChI=1S/C19H21N3O/c1-15-9-10-18-17(13-15)19(21-14-20-18)22(2)11-6-12-23-16-7-4-3-5-8-16/h3-5,7-10,13-14H,6,11-12H2,1-2H3
InChIKeyNXUAAWBFZCHGQP-UHFFFAOYSA-N
XLogP3.84
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine
CID 78901493
7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine
CID 133475517
N-butyl-6-methoxy-N-methylquinazolin-4-amine
CID 21002840
N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine
CID 133430235
N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50950589
6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride
CID 18558695
N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 26019686
6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
CID 133300967
N-butyl-7-methoxy-N-methylquinazolin-4-amine
CID 21003105
N,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide
CID 70723101
N-[3-(4-chlorophenoxy)propyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 71891705
N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
CID 163348860

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine?
The IUPAC name of N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine (CID 112843843) is N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine.
What is the SMILES notation for N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine?
The canonical SMILES for N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine is Cc1ccc2ncnc(N(C)CCCOc3ccccc3)c2c1.
What is the InChIKey of N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine?
The InChIKey is NXUAAWBFZCHGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-15-9-10-18-17(13-15)19(21-14-20-18)22(2)11-6-12-23-16-7-4-3-5-8-16/h3-5,7-10,13-14H,6,11-12H2,1-2H3.
What are the key properties of N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine?
N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine is sourced from PubChem (CID 112843843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).