N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide

C19H17N5O — CID 56942640

IUPACN-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CCNc2ncnc3ccc(C#N)cc23)c1
InChIInChI=1S/C19H17N5O/c1-13(25)24-16-4-2-3-14(9-16)7-8-21-19-17-10-15(11-20)5-6-18(17)22-12-23-19/h2-6,9-10,12H,7-8H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyODULEZFVCUTDJA-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.11
Rot. Bonds5

About N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide

N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide (PubChem CID 56942640) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide
PubChem CID56942640
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CCNc2ncnc3ccc(C#N)cc23)c1
InChIInChI=1S/C19H17N5O/c1-13(25)24-16-4-2-3-14(9-16)7-8-21-19-17-10-15(11-20)5-6-18(17)22-12-23-19/h2-6,9-10,12H,7-8H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyODULEZFVCUTDJA-UHFFFAOYSA-N
XLogP3.11
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile
CID 71679494
4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinazoline-6-carbonitrile;dihydrochloride
CID 142770728
4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 86305930
4-[2-[6-(morpholine-4-carbonyl)naphthalen-2-yl]ethylamino]quinazoline-6-carbonitrile
CID 71679652
N-[4-[2-[(6,7-difluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 99811987
4-(2-methylpropylamino)quinazoline-6-carbonitrile
CID 56942486
N-[2-fluoro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 86305238
N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 86305990
6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 25175672
4-N-[2-(3-chlorophenyl)ethyl]quinazoline-4,6-diamine
CID 509543
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268
N-[4-(2-phenylethylamino)quinazolin-6-yl]-3-(prop-2-enoylamino)propanamide
CID 69463534

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide (CID 56942640) is N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(CCNc2ncnc3ccc(C#N)cc23)c1.
What is the InChIKey of N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide?
The InChIKey is ODULEZFVCUTDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13(25)24-16-4-2-3-14(9-16)7-8-21-19-17-10-15(11-20)5-6-18(17)22-12-23-19/h2-6,9-10,12H,7-8H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide?
N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide has a molecular weight of 331.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 56942640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).