3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol

C20H24N4O2 — CID 68519751

IUPAC3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol
SMILESCOc1ccc(CNc2nc(CNCCCO)nc3ccccc23)cc1
InChIInChI=1S/C20H24N4O2/c1-26-16-9-7-15(8-10-16)13-22-20-17-5-2-3-6-18(17)23-19(24-20)14-21-11-4-12-25/h2-3,5-10,21,25H,4,11-14H2,1H3,(H,22,23,24)
InChIKeyKWHKHFQEMZVOFM-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.72
Rot. Bonds9

About 3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol

3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol (PubChem CID 68519751) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol
PubChem CID68519751
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol
SMILESCOc1ccc(CNc2nc(CNCCCO)nc3ccccc23)cc1
InChIInChI=1S/C20H24N4O2/c1-26-16-9-7-15(8-10-16)13-22-20-17-5-2-3-6-18(17)23-19(24-20)14-21-11-4-12-25/h2-3,5-10,21,25H,4,11-14H2,1H3,(H,22,23,24)
InChIKeyKWHKHFQEMZVOFM-UHFFFAOYSA-N
XLogP2.72
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol with MolForge

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Related Compounds

2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate
CID 68517635
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylacetonitrile
CID 6616450
N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine
CID 68518029
N-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide
CID 68516361
4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 71690909
2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 21003978
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 68518853
2-[(2-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 4548366

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol?
The IUPAC name of 3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol (CID 68519751) is 3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol is COc1ccc(CNc2nc(CNCCCO)nc3ccccc23)cc1.
What is the InChIKey of 3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol?
The InChIKey is KWHKHFQEMZVOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-26-16-9-7-15(8-10-16)13-22-20-17-5-2-3-6-18(17)23-19(24-20)14-21-11-4-12-25/h2-3,5-10,21,25H,4,11-14H2,1H3,(H,22,23,24).
What are the key properties of 3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol?
3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol has a molecular weight of 352.44 g/mol, XLogP of 2.72, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol is sourced from PubChem (CID 68519751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).