N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-[(6-methylquinazolin-4-yl)amino]propanamide

C23H26N4O2 — CID 51586369

IUPACN-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-[(6-methylquinazolin-4-yl)amino]propanamide
SMILESCc1ccc2ncnc(NCCC(=O)N[C@@H](C)c3ccc4c(c3)CCCO4)c2c1
InChIInChI=1S/C23H26N4O2/c1-15-5-7-20-19(12-15)23(26-14-25-20)24-10-9-22(28)27-16(2)17-6-8-21-18(13-17)4-3-11-29-21/h5-8,12-14,16H,3-4,9-11H2,1-2H3,(H,27,28)(H,24,25,26)/t16-/m0/s1
InChIKeyTZIPTXVTDOKFAD-INIZCTEOSA-N
MW390.49 g/mol
LogP3.94
Rot. Bonds6

About N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-[(6-methylquinazolin-4-yl)amino]propanamide

N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-[(6-methylquinazolin-4-yl)amino]propanamide (PubChem CID 51586369) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-[(6-methylquinazolin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-[(6-methylquinazolin-4-yl)amino]propanamide
PubChem CID51586369
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-[(6-methylquinazolin-4-yl)amino]propanamide
SMILESCc1ccc2ncnc(NCCC(=O)N[C@@H](C)c3ccc4c(c3)CCCO4)c2c1
InChIInChI=1S/C23H26N4O2/c1-15-5-7-20-19(12-15)23(26-14-25-20)24-10-9-22(28)27-16(2)17-6-8-21-18(13-17)4-3-11-29-21/h5-8,12-14,16H,3-4,9-11H2,1-2H3,(H,27,28)(H,24,25,26)/t16-/m0/s1
InChIKeyTZIPTXVTDOKFAD-INIZCTEOSA-N
XLogP3.94
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 51592382
N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 51592381
N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 136554167
2-(3,4-dihydro-2H-chromen-6-ylmethylamino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 95123738
N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methyltriazol-1-yl)acetamide
CID 46971557
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methyltriazol-1-yl)acetamide
CID 51587150
N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide
CID 92582478
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide
CID 92582479
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 92614769
3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
CID 46957009
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methoxy-1-oxophthalazin-2-yl)acetamide
CID 51592399
4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide
CID 120562483

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-[(6-methylquinazolin-4-yl)amino]propanamide?
The IUPAC name of N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-[(6-methylquinazolin-4-yl)amino]propanamide (CID 51586369) is N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-[(6-methylquinazolin-4-yl)amino]propanamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-[(6-methylquinazolin-4-yl)amino]propanamide?
The canonical SMILES for N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-[(6-methylquinazolin-4-yl)amino]propanamide is Cc1ccc2ncnc(NCCC(=O)N[C@@H](C)c3ccc4c(c3)CCCO4)c2c1.
What is the InChIKey of N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-[(6-methylquinazolin-4-yl)amino]propanamide?
The InChIKey is TZIPTXVTDOKFAD-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-5-7-20-19(12-15)23(26-14-25-20)24-10-9-22(28)27-16(2)17-6-8-21-18(13-17)4-3-11-29-21/h5-8,12-14,16H,3-4,9-11H2,1-2H3,(H,27,28)(H,24,25,26)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-[(6-methylquinazolin-4-yl)amino]propanamide?
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-[(6-methylquinazolin-4-yl)amino]propanamide has a molecular weight of 390.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-[(6-methylquinazolin-4-yl)amino]propanamide is sourced from PubChem (CID 51586369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).