4-(1-octoxypropan-2-yl)quinazolin-2-amine

C19H29N3O — CID 154004917

IUPAC4-(1-octoxypropan-2-yl)quinazolin-2-amine
SMILESCCCCCCCCOCC(C)c1nc(N)nc2ccccc12
InChIInChI=1S/C19H29N3O/c1-3-4-5-6-7-10-13-23-14-15(2)18-16-11-8-9-12-17(16)21-19(20)22-18/h8-9,11-12,15H,3-7,10,13-14H2,1-2H3,(H2,20,21,22)
InChIKeyYYKOEVQMQIGHCV-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.69
Rot. Bonds10

About 4-(1-octoxypropan-2-yl)quinazolin-2-amine

4-(1-octoxypropan-2-yl)quinazolin-2-amine (PubChem CID 154004917) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-(1-octoxypropan-2-yl)quinazolin-2-amine.

Molecular Properties

Compound Name4-(1-octoxypropan-2-yl)quinazolin-2-amine
PubChem CID154004917
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name4-(1-octoxypropan-2-yl)quinazolin-2-amine
SMILESCCCCCCCCOCC(C)c1nc(N)nc2ccccc12
InChIInChI=1S/C19H29N3O/c1-3-4-5-6-7-10-13-23-14-15(2)18-16-11-8-9-12-17(16)21-19(20)22-18/h8-9,11-12,15H,3-7,10,13-14H2,1-2H3,(H2,20,21,22)
InChIKeyYYKOEVQMQIGHCV-UHFFFAOYSA-N
XLogP4.69
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(1-octoxypropan-2-yl)quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-octoxypropan-2-ylbenzene
CID 77473849
4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine
CID 154004889
2-heptoxy-1-naphthalen-1-ylethanamine
CID 43127496
2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine
CID 90318958
1-nonoxypropan-2-yloxybenzene
CID 154296421
4-pentoxyquinolin-2-amine
CID 118174578
4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine
CID 80786097
2-pentoxy-1-phenylethanamine
CID 43275081
2,3-didodecoxyquinoxaline
CID 139934452
2-[(4-hexoxyphenyl)methyl]quinolin-4-amine
CID 175093861
4-N-(3-ethoxypropyl)quinazoline-2,4-diamine
CID 80773022
4-(1-pentoxypropan-2-yl)phenol
CID 18950152

Frequently Asked Questions

What is the IUPAC name of 4-(1-octoxypropan-2-yl)quinazolin-2-amine?
The IUPAC name of 4-(1-octoxypropan-2-yl)quinazolin-2-amine (CID 154004917) is 4-(1-octoxypropan-2-yl)quinazolin-2-amine.
What is the SMILES notation for 4-(1-octoxypropan-2-yl)quinazolin-2-amine?
The canonical SMILES for 4-(1-octoxypropan-2-yl)quinazolin-2-amine is CCCCCCCCOCC(C)c1nc(N)nc2ccccc12.
What is the InChIKey of 4-(1-octoxypropan-2-yl)quinazolin-2-amine?
The InChIKey is YYKOEVQMQIGHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-4-5-6-7-10-13-23-14-15(2)18-16-11-8-9-12-17(16)21-19(20)22-18/h8-9,11-12,15H,3-7,10,13-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 4-(1-octoxypropan-2-yl)quinazolin-2-amine?
4-(1-octoxypropan-2-yl)quinazolin-2-amine has a molecular weight of 315.46 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-octoxypropan-2-yl)quinazolin-2-amine is sourced from PubChem (CID 154004917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).