N-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide

C22H25N5O3 — CID 68516361

IUPACN-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide
SMILESCOc1ccc(CNc2nc(N(CCNC(C)=O)C(C)=O)nc3ccccc23)cc1
InChIInChI=1S/C22H25N5O3/c1-15(28)23-12-13-27(16(2)29)22-25-20-7-5-4-6-19(20)21(26-22)24-14-17-8-10-18(30-3)11-9-17/h4-11H,12-14H2,1-3H3,(H,23,28)(H,24,25,26)
InChIKeyYDONTCBZEPIMRR-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.74
Rot. Bonds8

About N-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide

N-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide (PubChem CID 68516361) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide
PubChem CID68516361
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide
SMILESCOc1ccc(CNc2nc(N(CCNC(C)=O)C(C)=O)nc3ccccc23)cc1
InChIInChI=1S/C22H25N5O3/c1-15(28)23-12-13-27(16(2)29)22-25-20-7-5-4-6-19(20)21(26-22)24-14-17-8-10-18(30-3)11-9-17/h4-11H,12-14H2,1-3H3,(H,23,28)(H,24,25,26)
InChIKeyYDONTCBZEPIMRR-UHFFFAOYSA-N
XLogP2.74
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate
CID 68517635
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770
N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide
CID 91715659
3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol
CID 68519751
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 68518853
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine
CID 68518029
N-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 53012925
2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylacetonitrile
CID 6616450

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide (CID 68516361) is N-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide is COc1ccc(CNc2nc(N(CCNC(C)=O)C(C)=O)nc3ccccc23)cc1.
What is the InChIKey of N-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide?
The InChIKey is YDONTCBZEPIMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-15(28)23-12-13-27(16(2)29)22-25-20-7-5-4-6-19(20)21(26-22)24-14-17-8-10-18(30-3)11-9-17/h4-11H,12-14H2,1-3H3,(H,23,28)(H,24,25,26).
What are the key properties of N-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide?
N-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 68516361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).