[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methanol

C17H17N3O2 — CID 11254910

IUPAC[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methanol
SMILESCOc1ccc(N(C)c2nc(CO)nc3ccccc23)cc1
InChIInChI=1S/C17H17N3O2/c1-20(12-7-9-13(22-2)10-8-12)17-14-5-3-4-6-15(14)18-16(11-21)19-17/h3-10,21H,11H2,1-2H3
InChIKeyMPNMBCIEBIXDIT-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.90
Rot. Bonds4

About [4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methanol

[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methanol (PubChem CID 11254910) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is [4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methanol
PubChem CID11254910
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methanol
SMILESCOc1ccc(N(C)c2nc(CO)nc3ccccc23)cc1
InChIInChI=1S/C17H17N3O2/c1-20(12-7-9-13(22-2)10-8-12)17-14-5-3-4-6-15(14)18-16(11-21)19-17/h3-10,21H,11H2,1-2H3
InChIKeyMPNMBCIEBIXDIT-UHFFFAOYSA-N
XLogP2.90
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Verubulin
CID 11414799
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
N~2~-(3-methoxyphenyl)-N~4~-(tetrahydro-2-furanylmethyl)-2,4-quinazolinediamine hydrochloride
CID 2951909
CID 2952997
CID 2952997
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methanol?
The IUPAC name of [4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methanol (CID 11254910) is [4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methanol.
What is the SMILES notation for [4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methanol?
The canonical SMILES for [4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methanol is COc1ccc(N(C)c2nc(CO)nc3ccccc23)cc1.
What is the InChIKey of [4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methanol?
The InChIKey is MPNMBCIEBIXDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20(12-7-9-13(22-2)10-8-12)17-14-5-3-4-6-15(14)18-16(11-21)19-17/h3-10,21H,11H2,1-2H3.
What are the key properties of [4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methanol?
[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methanol has a molecular weight of 295.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methanol is sourced from PubChem (CID 11254910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).