4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide

C28H29N5O3 — CID 174753942

IUPAC4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CNc3ncnc4ccc(CN5CCOCC5)cc34)c2)cc1
InChIInChI=1S/C28H29N5O3/c1-35-24-8-6-22(7-9-24)28(34)32-23-4-2-3-20(15-23)17-29-27-25-16-21(5-10-26(25)30-19-31-27)18-33-11-13-36-14-12-33/h2-10,15-16,19H,11-14,17-18H2,1H3,(H,32,34)(H,29,30,31)
InChIKeyPJRHWEKPKPBPCA-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.34
Rot. Bonds8

About 4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide

4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide (PubChem CID 174753942) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
PubChem CID174753942
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CNc3ncnc4ccc(CN5CCOCC5)cc34)c2)cc1
InChIInChI=1S/C28H29N5O3/c1-35-24-8-6-22(7-9-24)28(34)32-23-4-2-3-20(15-23)17-29-27-25-16-21(5-10-26(25)30-19-31-27)18-33-11-13-36-14-12-33/h2-10,15-16,19H,11-14,17-18H2,1H3,(H,32,34)(H,29,30,31)
InChIKeyPJRHWEKPKPBPCA-UHFFFAOYSA-N
XLogP4.34
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide with MolForge

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Related Compounds

N-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide
CID 174754295
3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19508813
N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide
CID 52751437
5-[(4-methoxyphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 19451164
4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid
CID 140638692
4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763033
N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]naphthalene-2-carboxamide
CID 44536805
N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide
CID 15956177
3-methoxy-N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide
CID 66550689
N-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide
CID 66800658
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-methoxybenzamide
CID 71761877

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide (CID 174753942) is 4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(CNc3ncnc4ccc(CN5CCOCC5)cc34)c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
The InChIKey is PJRHWEKPKPBPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-35-24-8-6-22(7-9-24)28(34)32-23-4-2-3-20(15-23)17-29-27-25-16-21(5-10-26(25)30-19-31-27)18-33-11-13-36-14-12-33/h2-10,15-16,19H,11-14,17-18H2,1H3,(H,32,34)(H,29,30,31).
What are the key properties of 4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide has a molecular weight of 483.57 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide is sourced from PubChem (CID 174753942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).