N-methyl-N-(3-phenoxypropyl)-2-pyridin-3-ylquinazolin-4-amine

C23H22N4O — CID 36790148

IUPACN-methyl-N-(3-phenoxypropyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(CCCOc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C23H22N4O/c1-27(15-8-16-28-19-10-3-2-4-11-19)23-20-12-5-6-13-21(20)25-22(26-23)18-9-7-14-24-17-18/h2-7,9-14,17H,8,15-16H2,1H3
InChIKeyKVKCYJQCCLIGJK-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.60
Rot. Bonds7

About N-methyl-N-(3-phenoxypropyl)-2-pyridin-3-ylquinazolin-4-amine

N-methyl-N-(3-phenoxypropyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 36790148) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-methyl-N-(3-phenoxypropyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(3-phenoxypropyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID36790148
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-methyl-N-(3-phenoxypropyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(CCCOc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C23H22N4O/c1-27(15-8-16-28-19-10-3-2-4-11-19)23-20-12-5-6-13-21(20)25-22(26-23)18-9-7-14-24-17-18/h2-7,9-14,17H,8,15-16H2,1H3
InChIKeyKVKCYJQCCLIGJK-UHFFFAOYSA-N
XLogP4.60
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenoxypropyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-methyl-N-(3-phenoxypropyl)-2-pyridin-3-ylquinazolin-4-amine (CID 36790148) is N-methyl-N-(3-phenoxypropyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-methyl-N-(3-phenoxypropyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-methyl-N-(3-phenoxypropyl)-2-pyridin-3-ylquinazolin-4-amine is CN(CCCOc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-methyl-N-(3-phenoxypropyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is KVKCYJQCCLIGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-27(15-8-16-28-19-10-3-2-4-11-19)23-20-12-5-6-13-21(20)25-22(26-23)18-9-7-14-24-17-18/h2-7,9-14,17H,8,15-16H2,1H3.
What are the key properties of N-methyl-N-(3-phenoxypropyl)-2-pyridin-3-ylquinazolin-4-amine?
N-methyl-N-(3-phenoxypropyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 370.46 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenoxypropyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 36790148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).