1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-quinolin-8-ylurea

C23H26N4O — CID 70038248

IUPAC1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-quinolin-8-ylurea
SMILESCN(C)CC1CCc2cc(NC(=O)Nc3cccc4cccnc34)ccc2C1
InChIInChI=1S/C23H26N4O/c1-27(2)15-16-8-9-19-14-20(11-10-18(19)13-16)25-23(28)26-21-7-3-5-17-6-4-12-24-22(17)21/h3-7,10-12,14,16H,8-9,13,15H2,1-2H3,(H2,25,26,28)
InChIKeyDUIWONMSGZMBPK-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.55
Rot. Bonds4

About 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-quinolin-8-ylurea

1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-quinolin-8-ylurea (PubChem CID 70038248) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-quinolin-8-ylurea
PubChem CID70038248
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-quinolin-8-ylurea
SMILESCN(C)CC1CCc2cc(NC(=O)Nc3cccc4cccnc34)ccc2C1
InChIInChI=1S/C23H26N4O/c1-27(2)15-16-8-9-19-14-20(11-10-18(19)13-16)25-23(28)26-21-7-3-5-17-6-4-12-24-22(17)21/h3-7,10-12,14,16H,8-9,13,15H2,1-2H3,(H2,25,26,28)
InChIKeyDUIWONMSGZMBPK-UHFFFAOYSA-N
XLogP4.55
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-3-quinolin-8-ylthiourea
CID 75479835
1-quinolin-8-yl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871921
1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methyl-3-phenylurea
CID 70036178
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-quinolin-8-ylurea
CID 108873409
1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea
CID 108991844
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea
CID 112974813
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea
CID 108992618
1-[6-[(dimethylamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-phenoxyphenyl)urea
CID 70038246
1-propyl-3-quinolin-8-ylurea
CID 13078451
(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
CID 59003766

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-quinolin-8-ylurea?
The IUPAC name of 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-quinolin-8-ylurea (CID 70038248) is 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-quinolin-8-ylurea.
What is the SMILES notation for 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-quinolin-8-ylurea?
The canonical SMILES for 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-quinolin-8-ylurea is CN(C)CC1CCc2cc(NC(=O)Nc3cccc4cccnc34)ccc2C1.
What is the InChIKey of 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-quinolin-8-ylurea?
The InChIKey is DUIWONMSGZMBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-27(2)15-16-8-9-19-14-20(11-10-18(19)13-16)25-23(28)26-21-7-3-5-17-6-4-12-24-22(17)21/h3-7,10-12,14,16H,8-9,13,15H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-quinolin-8-ylurea?
1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-quinolin-8-ylurea has a molecular weight of 374.49 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-quinolin-8-ylurea is sourced from PubChem (CID 70038248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).