N-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide

C21H22N6O3 — CID 162670614

IUPACN-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C21H22N6O3/c1-14(28)22-15-6-8-16(9-7-15)23-21(29)26-20-24-18-5-3-2-4-17(18)19(25-20)27-10-12-30-13-11-27/h2-9H,10-13H2,1H3,(H,22,28)(H2,23,24,25,26,29)
InChIKeyNAQIPIOFNXTKIE-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.07
Rot. Bonds4

About N-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide

N-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide (PubChem CID 162670614) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide
PubChem CID162670614
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC NameN-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C21H22N6O3/c1-14(28)22-15-6-8-16(9-7-15)23-21(29)26-20-24-18-5-3-2-4-17(18)19(25-20)27-10-12-30-13-11-27/h2-9H,10-13H2,1H3,(H,22,28)(H2,23,24,25,26,29)
InChIKeyNAQIPIOFNXTKIE-UHFFFAOYSA-N
XLogP3.07
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide (CID 162670614) is N-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide?
The InChIKey is NAQIPIOFNXTKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-14(28)22-15-6-8-16(9-7-15)23-21(29)26-20-24-18-5-3-2-4-17(18)19(25-20)27-10-12-30-13-11-27/h2-9H,10-13H2,1H3,(H,22,28)(H2,23,24,25,26,29).
What are the key properties of N-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide?
N-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide has a molecular weight of 406.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 162670614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).