N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide

C20H21N5O — CID 50946172

IUPACN-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C20H21N5O/c1-14(26)21-15-8-10-16(11-9-15)22-20-23-18-7-3-2-6-17(18)19(24-20)25-12-4-5-13-25/h2-3,6-11H,4-5,12-13H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyRWHDGTAAQNKJEP-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.93
Rot. Bonds4

About N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide

N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide (PubChem CID 50946172) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide
PubChem CID50946172
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C20H21N5O/c1-14(26)21-15-8-10-16(11-9-15)22-20-23-18-7-3-2-6-17(18)19(24-20)25-12-4-5-13-25/h2-3,6-11H,4-5,12-13H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyRWHDGTAAQNKJEP-UHFFFAOYSA-N
XLogP3.93
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine
CID 143177747
N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine
CID 2095932
4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol
CID 769532
N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 7192885
4-fluoro-1-N-(4-pyrrolidin-1-ylquinazolin-2-yl)benzene-1,3-diamine
CID 141431025
N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine;hydrochloride
CID 2910267
4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride
CID 2972487
N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 11763127
N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 5180598
N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide
CID 50944617
3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide
CID 22146631
2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 24590254

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide (CID 50946172) is N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide?
The InChIKey is RWHDGTAAQNKJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14(26)21-15-8-10-16(11-9-15)22-20-23-18-7-3-2-6-17(18)19(24-20)25-12-4-5-13-25/h2-3,6-11H,4-5,12-13H2,1H3,(H,21,26)(H,22,23,24).
What are the key properties of N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide?
N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 50946172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).