butan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide

C25H32N4O3 — CID 143198679

IUPACbutan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide
SMILESCCCCO.Cc1ccc2c(N3CCC(CNC=O)C3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C21H22N4O2.C4H10O/c1-14-6-7-16-18(10-14)23-20(17-4-2-3-5-19(17)27)24-21(16)25-9-8-15(12-25)11-22-13-26;1-2-3-4-5/h2-7,10,13,15,27H,8-9,11-12H2,1H3,(H,22,26);5H,2-4H2,1H3
InChIKeyQLMADKWISNWLQQ-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.66
Rot. Bonds7

About butan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide

butan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide (PubChem CID 143198679) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is butan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide.

Molecular Properties

Compound Namebutan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide
PubChem CID143198679
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Namebutan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide
SMILESCCCCO.Cc1ccc2c(N3CCC(CNC=O)C3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C21H22N4O2.C4H10O/c1-14-6-7-16-18(10-14)23-20(17-4-2-3-5-19(17)27)24-21(16)25-9-8-15(12-25)11-22-13-26;1-2-3-4-5/h2-7,10,13,15,27H,8-9,11-12H2,1H3,(H,22,26);5H,2-4H2,1H3
InChIKeyQLMADKWISNWLQQ-UHFFFAOYSA-N
XLogP3.66
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

molecular hydrogen;propyl N-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate
CID 160934075
butan-1-ol;ethane;formaldehyde;N-methylmethanamine;2-(7-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)phenol
CID 143198431
molecular hydrogen;propan-2-yl N-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate
CID 158588972
ethyl N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate
CID 135410876
3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 140544625
1-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 140544630
2-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]phenol;[(3R)-oxolan-3-yl] N-[[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate
CID 159786759
2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide
CID 161090945
2-[4-[(3S)-3-(aminomethyl)piperidin-1-yl]-7-methylquinazolin-2-yl]phenol;tert-butyl N-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-3-yl]methyl]carbamate
CID 158402880
N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3,3-dimethylbutanamide;molecular hydrogen
CID 160958505
2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide
CID 143198505
2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide
CID 159216770

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide?
The IUPAC name of butan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide (CID 143198679) is butan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide.
What is the SMILES notation for butan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide?
The canonical SMILES for butan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide is CCCCO.Cc1ccc2c(N3CCC(CNC=O)C3)nc(-c3ccccc3O)nc2c1.
What is the InChIKey of butan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide?
The InChIKey is QLMADKWISNWLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2.C4H10O/c1-14-6-7-16-18(10-14)23-20(17-4-2-3-5-19(17)27)24-21(16)25-9-8-15(12-25)11-22-13-26;1-2-3-4-5/h2-7,10,13,15,27H,8-9,11-12H2,1H3,(H,22,26);5H,2-4H2,1H3.
What are the key properties of butan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide?
butan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide has a molecular weight of 436.56 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide is sourced from PubChem (CID 143198679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).