N-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine

C21H24N4O — CID 90869046

IUPACN-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine
SMILESCOC(C)NC1CCN(c2nc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C21H24N4O/c1-15(26-2)22-17-12-13-25(14-17)21-18-10-6-7-11-19(18)23-20(24-21)16-8-4-3-5-9-16/h3-11,15,17,22H,12-14H2,1-2H3
InChIKeyJUUMRSBWUKKQFO-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.46
Rot. Bonds5

About N-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine

N-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine (PubChem CID 90869046) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine
PubChem CID90869046
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine
SMILESCOC(C)NC1CCN(c2nc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C21H24N4O/c1-15(26-2)22-17-12-13-25(14-17)21-18-10-6-7-11-19(18)23-20(24-21)16-8-4-3-5-9-16/h3-11,15,17,22H,12-14H2,1-2H3
InChIKeyJUUMRSBWUKKQFO-UHFFFAOYSA-N
XLogP3.46
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide
CID 49431018
4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline
CID 10177767
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
CID 731359
2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide
CID 70835315
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 141288937
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 24720206
N-phenyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-amine
CID 133363141
2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
CID 20963253
4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 137470060
1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol
CID 11415528
(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide
CID 94434184

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine?
The IUPAC name of N-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine (CID 90869046) is N-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for N-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine is COC(C)NC1CCN(c2nc(-c3ccccc3)nc3ccccc23)C1.
What is the InChIKey of N-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine?
The InChIKey is JUUMRSBWUKKQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15(26-2)22-17-12-13-25(14-17)21-18-10-6-7-11-19(18)23-20(24-21)16-8-4-3-5-9-16/h3-11,15,17,22H,12-14H2,1-2H3.
What are the key properties of N-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine?
N-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine has a molecular weight of 348.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 90869046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).