ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine

C21H26N4O — CID 143177747

IUPACethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine
SMILESCC.COc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C19H20N4O.C2H6/c1-24-15-10-8-14(9-11-15)20-19-21-17-7-3-2-6-16(17)18(22-19)23-12-4-5-13-23;1-2/h2-3,6-11H,4-5,12-13H2,1H3,(H,20,21,22);1-2H3
InChIKeyHYPWIGRZXIBLLU-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.01
Rot. Bonds4

About ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine

ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine (PubChem CID 143177747) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine.

Molecular Properties

Compound Nameethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine
PubChem CID143177747
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Nameethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine
SMILESCC.COc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C19H20N4O.C2H6/c1-24-15-10-8-14(9-11-15)20-19-21-17-7-3-2-6-16(17)18(22-19)23-12-4-5-13-23;1-2/h2-3,6-11H,4-5,12-13H2,1H3,(H,20,21,22);1-2H3
InChIKeyHYPWIGRZXIBLLU-UHFFFAOYSA-N
XLogP5.01
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine
CID 2095932
N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide
CID 50946172
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
CID 731359
4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol
CID 769532
4-fluoro-1-N-(4-pyrrolidin-1-ylquinazolin-2-yl)benzene-1,3-diamine
CID 141431025
4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine
CID 54514405
N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine;hydrochloride
CID 2910267
2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 50947631
N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylquinazolin-2-amine;hydrochloride
CID 2975510
4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride
CID 2972487
4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
CID 54556640
N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 769569

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine?
The IUPAC name of ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine (CID 143177747) is ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine.
What is the SMILES notation for ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine?
The canonical SMILES for ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine is CC.COc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1.
What is the InChIKey of ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine?
The InChIKey is HYPWIGRZXIBLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.C2H6/c1-24-15-10-8-14(9-11-15)20-19-21-17-7-3-2-6-16(17)18(22-19)23-12-4-5-13-23;1-2/h2-3,6-11H,4-5,12-13H2,1H3,(H,20,21,22);1-2H3.
What are the key properties of ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine?
ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine has a molecular weight of 350.47 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine is sourced from PubChem (CID 143177747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).