N-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine

C16H22N4O2 — CID 91963759

IUPACN-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine
SMILESCOCCCNc1nc(N2CCOCC2)nc2ccccc12
InChIInChI=1S/C16H22N4O2/c1-21-10-4-7-17-15-13-5-2-3-6-14(13)18-16(19-15)20-8-11-22-12-9-20/h2-3,5-6H,4,7-12H2,1H3,(H,17,18,19)
InChIKeyNCBDBPCAHJLLTN-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.91
Rot. Bonds6

About N-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine

N-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine (PubChem CID 91963759) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine
PubChem CID91963759
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine
SMILESCOCCCNc1nc(N2CCOCC2)nc2ccccc12
InChIInChI=1S/C16H22N4O2/c1-21-10-4-7-17-15-13-5-2-3-6-14(13)18-16(19-15)20-8-11-22-12-9-20/h2-3,5-6H,4,7-12H2,1H3,(H,17,18,19)
InChIKeyNCBDBPCAHJLLTN-UHFFFAOYSA-N
XLogP1.91
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine
CID 68516298
2-morpholin-4-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963594
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
3-[[2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]amino]propan-1-ol
CID 50947946
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride
CID 53351083
2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
CID 2229253
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 69241562
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963614
N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine
CID 78805402
2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963152

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine (CID 91963759) is N-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine is COCCCNc1nc(N2CCOCC2)nc2ccccc12.
What is the InChIKey of N-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine?
The InChIKey is NCBDBPCAHJLLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-21-10-4-7-17-15-13-5-2-3-6-14(13)18-16(19-15)20-8-11-22-12-9-20/h2-3,5-6H,4,7-12H2,1H3,(H,17,18,19).
What are the key properties of N-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine?
N-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine is sourced from PubChem (CID 91963759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).