6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine

C22H26N4O — CID 3829399

IUPAC6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine
SMILESCc1ccc2nc(NCCCN3CCOCC3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C22H26N4O/c1-17-8-9-20-19(16-17)21(18-6-3-2-4-7-18)25-22(24-20)23-10-5-11-26-12-14-27-15-13-26/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,24,25)
InChIKeyNFXCILCKJHYPQR-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.74
Rot. Bonds6

About 6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine

6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine (PubChem CID 3829399) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine.

Molecular Properties

Compound Name6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine
PubChem CID3829399
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine
SMILESCc1ccc2nc(NCCCN3CCOCC3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C22H26N4O/c1-17-8-9-20-19(16-17)21(18-6-3-2-4-7-18)25-22(24-20)23-10-5-11-26-12-14-27-15-13-26/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,24,25)
InChIKeyNFXCILCKJHYPQR-UHFFFAOYSA-N
XLogP3.74
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.74
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

6-methyl-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 133466881
2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline
CID 2862104
6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798366
2-hydrazinyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 66572559
6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine
CID 3599041
3-methyl-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 5008423
6-methyl-N,4-diphenylquinazolin-2-amine
CID 782168
6-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 10785410
6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 117080618
6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine
CID 663484
5-[3-(3-methylphenyl)phenyl]-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 68920820
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine?
The IUPAC name of 6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine (CID 3829399) is 6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine.
What is the SMILES notation for 6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine?
The canonical SMILES for 6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine is Cc1ccc2nc(NCCCN3CCOCC3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine?
The InChIKey is NFXCILCKJHYPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17-8-9-20-19(16-17)21(18-6-3-2-4-7-18)25-22(24-20)23-10-5-11-26-12-14-27-15-13-26/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,24,25).
What are the key properties of 6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine?
6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine has a molecular weight of 362.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine is sourced from PubChem (CID 3829399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).