N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]oxolane-2-carboxamide

C22H23FN4O2 — CID 45183483

IUPACN-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]oxolane-2-carboxamide
SMILESCc1cccc2c(NCc3ccccc3F)nc(CNC(=O)C3CCCO3)nc12
InChIInChI=1S/C22H23FN4O2/c1-14-6-4-8-16-20(14)26-19(13-25-22(28)18-10-5-11-29-18)27-21(16)24-12-15-7-2-3-9-17(15)23/h2-4,6-9,18H,5,10-13H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyYFDHGEIYQJEHLS-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.48
Rot. Bonds6

About N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]oxolane-2-carboxamide

N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]oxolane-2-carboxamide (PubChem CID 45183483) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]oxolane-2-carboxamide
PubChem CID45183483
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]oxolane-2-carboxamide
SMILESCc1cccc2c(NCc3ccccc3F)nc(CNC(=O)C3CCCO3)nc12
InChIInChI=1S/C22H23FN4O2/c1-14-6-4-8-16-20(14)26-19(13-25-22(28)18-10-5-11-29-18)27-21(16)24-12-15-7-2-3-9-17(15)23/h2-4,6-9,18H,5,10-13H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyYFDHGEIYQJEHLS-UHFFFAOYSA-N
XLogP3.48
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N~2~-(2-fluorophenyl)-N~4~-(tetrahydro-2-furanylmethyl)-2,4-quinazolinediamine
CID 2929638
Tetrahydro-furan-2-carboxylic acid [3-(3-cyano-7-methyl-quinolin-2-ylamino)-propyl]-amide
CID 649378
N~2~-(4-fluorophenyl)-N~4~-(tetrahydro-2-furanylmethyl)-2,4-quinazolinediamine hydrochloride
CID 2927620
2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 2952933
N~2~-[4-(dimethylamino)phenyl]-N~4~-(tetrahydro-2-furanylmethyl)-2,4-quinazolinediamine hydrochloride
CID 2972545
4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine
CID 3151039
2-[8-Ethyl-2-(4-fluoro-phenyl)-quinazolin-4-ylsulfanyl]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3226697
4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 16192893
N-[4-({4-[(tetrahydrofuran-2-ylmethyl)amino]quinazolin-2-yl}amino)phenyl]acetamide
CID 50947964
US12053473, Example I-270
CID 155520165
US12053473, Example I-220
CID 155547728
2-[2-(4-Fluoro-phenyl)-8-methyl-quinazolin-4-ylsulfanyl]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3226702

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]oxolane-2-carboxamide (CID 45183483) is N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]oxolane-2-carboxamide is Cc1cccc2c(NCc3ccccc3F)nc(CNC(=O)C3CCCO3)nc12.
What is the InChIKey of N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]oxolane-2-carboxamide?
The InChIKey is YFDHGEIYQJEHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14-6-4-8-16-20(14)26-19(13-25-22(28)18-10-5-11-29-18)27-21(16)24-12-15-7-2-3-9-17(15)23/h2-4,6-9,18H,5,10-13H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]oxolane-2-carboxamide?
N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]oxolane-2-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 45183483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).